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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10390558 | 0.90 | POLB (0.50) | ALDH1A1KDM4ELMNACYP3A4GAA | |
| SCHEMBL10390181 | 0.89 | MEN1 (0.50) | ALDH1A1KDM4ELMNACYP3A4TDP1 | |
| Di(Hydroxyethyl)Ether SCHEMBL16085977 | 0.87 | TDP1 (0.58) | CA9CA1CA2ALDH1A1TDP1 | |
| SCHEMBL1180141 | 0.87 | TDP1 (0.58) | CA9CA1CA2ALDH1A1TDP1 | |
| SCHEMBL9995347 | 0.85 | TDP1 (0.56) | CA9CA1CA2ALDH1A1LMNA | |
| SCHEMBL4185009 | 0.85 | TDP1 (0.56) | CA9CA1CA2ALDH1A1LMNA | |
| SCHEMBL10390456 | 0.84 | TSHR (0.48) | CA9CA1CA2ALDH1A1KDM4E | |
| Phenylethyl Alcohol SCHEMBL27373999 | 0.81 | TDP1 (0.70) | CA9CA1CA2ALDH1A1KDM4E | |
| Di(Hydroxyethyl)Ether SCHEMBL11853477 | 0.81 | TDP1 (0.61) | CA1CA2ALDH1A1LMNATDP1 | |
| SCHEMBL9574205 | 0.81 | MEN1 (0.49) | CA2KDM4ECYP3A4TDP1POLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060079533-A1 | Methods of treating alzheimer's disease | NIEMAN JAMES A | 2006-04-13 | — | — | US | disclosed |
| WO-2002076440-A2 | METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES | ELAN PHARMACEUTICALS, INC. (US) | 2002-10-03 | — | — | WO | disclosed |
| US-6150526-A | Piperidine derivative having renin inhibiting activity | HOFFMANN-LA ROCHE INC. (US) | 2000-11-21 | — | — | US | disclosed |
| US-6051712-A | PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS | HOFFMANN-LA ROCHE INC. (US) | 2000-04-18 | — | — | 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 (1 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-20060079533-A1 | Methods of treating alzheimer's disease | BACE1, PSEN1, PSEN2 | CA9 3420/4885CA1 124/4885CA2 1585/4885 |
“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.