Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 7/20 | 0.56 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.56 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.56 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.56 |
| ▸ | SLC7A5 | Q01650 | 7/20 | 0.51 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | MITF | O75030 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5405168 | 0.90 | SLC6A4 (0.66) | SLC6A4SLC6A2SLC6A3KCNK2KCNH2 | |
| Sulfuric Acid SCHEMBL143603 | 0.85 | SLC6A4 (0.57) | SLC6A4SLC6A2SLC6A3KCNK2KCNH2 | |
| SCHEMBL1045800 | 0.79 | SLC6A4 (0.71) | SLC6A4SLC6A2SLC6A3KCNK2KCNH2 | |
| Ammonia Solution, Strong SCHEMBL5450609 | 0.78 | SLC6A4 (0.44) | SLC6A4SLC6A2SLC6A3KCNK2KCNH2 | |
| SCHEMBL684955 | 0.78 | SLC6A4 (0.66) | SLC6A4SLC6A2SLC6A3KCNK2KCNH2 | |
| SCHEMBL7056008 | 0.78 | SLC6A4 (0.66) | SLC6A4SLC6A2SLC6A3KCNK2KCNH2 | |
| Oxalic Acid SCHEMBL7310720 | 0.78 | SLC6A4 (0.58) | SLC6A4SLC6A2SLC6A3KCNK2KCNH2 | |
| SCHEMBL5450613 | 0.76 | SLC7A5 (0.49) | SLC6A4SLC6A2SLC6A3KCNK2KCNH2 | |
| SCHEMBL7053112 | 0.75 | SLC6A4 (0.70) | SLC6A4SLC6A2SLC6A3KCNK2KCNH2 | |
| SCHEMBL5397302 | 0.75 | SLC6A2 (0.58) | SLC6A4SLC6A2SLC6A3KCNK2KCNH2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040266882-A1 | Aryloxypropylamines as chemosensitizing agents in the treatment of cancer | RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) | 2004-12-30 | — | — | US | claimed |
| US-20120058979-A1 | METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS | ZALICUS INC. (US) | 2012-03-08 | — | — | US | disclosed |
| US-8080553-B2 | Methods and reagents for the treatment of immunoinflammatory disorders | ZALICUS INC. (US) | 2011-12-20 | — | — | US | disclosed |
| EP-2301628-A1 | Methods and reagents for the treatment of immunoinflammatory disorders | Zalicus Inc. (US) | 2011-03-30 | — | — | EP | disclosed |
| EP-2218442-A1 | Methods, compositions, and kits for the treatment of ophthalmic disorders | CombinatoRx, Inc. (US) | 2010-08-18 | — | — | EP | disclosed |
| US-20100081713-A1 | COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTIONS | CombinatoRx, (Singapore) Pte. Ltd. | 2010-04-01 | — | — | US | disclosed |
| EP-2070550-A1 | Use of combinations comprising a corticosteroid and a pyrimidopyrimidine in the treatment of inflammatory diseases | Combinatorx, Incorporated (US) | 2009-06-17 | — | — | EP | disclosed |
| EP-1670427-A4 | METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS | COMBINATORX INC (US) | 2009-01-07 | — | — | EP | disclosed |
| US-20080287406-A1 | Compositions and methods for treating medical conditions | ZALICUS INC. | 2008-11-20 | — | — | US | disclosed |
| US-20080280862-A1 | Methods, compositions, and kits for the treatment of pain | COMBINATORX, INCORPORATED | 2008-11-13 | — | — | US | disclosed |
| US-20040266882-A1 | Aryloxypropylamines as chemosensitizing agents in the treatment of cancer | RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) | 2004-12-30 | — | — | US | disclosed |
| US-20040229849-A1 | Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines | COMBINATORX, INCORPORATED | 2004-11-18 | — | — | US | disclosed |
| US-20040224876-A1 | Combination therapy for the treatment of immunoinflammatory disorders | COMBINATORX, INCORPORATED | 2004-11-11 | — | — | US | disclosed |
| US-20040220153-A1 | Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines | COMBINATORX, INCORPORATED | 2004-11-04 | — | — | US | disclosed |
| WO-2004073614-A2 | COMBINATION THERAPY FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS | COMBINATORX, INCORPORATED (US) | 2004-09-02 | — | — | WO | disclosed |
| WO-2004030618-A2 | METHODS AND REAGENTS FOR THE TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH INCREASED LEVELS OF PROINFLAMMATORY CYTOKINES | COMBINATORX, INCORPORATED (US) | 2004-04-15 | — | — | WO | disclosed |
| US-4626549-A | Treatment of obesity with aryloxyphenylpropylamines | ELI LILLY AND COMPANY (US) | 1986-12-02 | — | — | US | disclosed |
| US-4313896-A | ANTIDEPRESSANTS, PSYCHOTROPIC AGENTS | ELI LILLY AND COMPANY (US) | 1982-02-02 | — | — | US | disclosed |
| US-4314081-A | ANTIDEPRESSANTS | ELI LILLY AND COMPANY (US) | 1982-02-02 | — | — | US | disclosed |
| US-4194009-A | ANTIDEPRESSANT | ELI LILLY AND COMPANY (US) | 1980-03-18 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080280862-A1 | Methods, compositions, and kits for the treatment of pain | ACHE, MPO, P2RX3 | SLC6A4 2924/4885SLC6A2 2734/4885SLC6A3 3743/4885 |
| US-20040266882-A1 | Aryloxypropylamines as chemosensitizing agents in the treatment of cancer | ABCC1, PNMT, ABCB1 | SLC6A4 280/4885SLC6A2 290/4885SLC6A3 272/4885 |
| US-20040224876-A1 | Combination therapy for the treatment of immunoinflammatory disorders | HLA-DRB1, TSLP, SERPINA6 | SLC6A4 938/4885SLC6A2 1019/4885SLC6A3 1670/4885 |
| US-20040220153-A1 | Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines | TNF, IL5, IL6 | SLC6A4 342/4885SLC6A2 562/4885SLC6A3 1714/4885 |
| US-20080287406-A1 | Compositions and methods for treating medical conditions | S100B, S100P, S100A6 | SLC6A4 761/4885SLC6A2 1042/4885SLC6A3 3786/4885 |
| US-20040229849-A1 | Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines | TNF, IL5, IL6 | SLC6A4 342/4885SLC6A2 562/4885SLC6A3 1714/4885 |
| US-20100081713-A1 | COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTIONS | IFNG, IL5, HAVCR2 | SLC6A4 4506/4885SLC6A2 4415/4885SLC6A3 4759/4885 |
| US-20120058979-A1 | METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS | IL5, TPMT, TSLP | SLC6A4 3269/4885SLC6A2 3188/4885SLC6A3 3683/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.