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 | |
|---|---|---|---|---|
| ▸ | ITGB2 | P05107 | 1/20 | 0.64 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.64 |
| ▸ | ITGAL | P20701 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | CRHBP | P24387 | 2/20 | 0.56 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL3885106 | 0.83 | ITGB2 (0.82) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| SCHEMBL27575178 | 0.81 | ITGB2 (0.70) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| SCHEMBL11519392 | 0.80 | ITGB2 (1.00) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| SCHEMBL6791411 | 0.80 | ITGB2 (1.00) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| SCHEMBL11399163 | 0.80 | ITGB2 (1.00) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| SCHEMBL11406989 | 0.80 | ITGB2 (1.00) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| SCHEMBL29997436 | 0.80 | ITGB2 (1.00) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| SCHEMBL27796077 | 0.80 | ITGB2 (1.00) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| SCHEMBL8518 | 0.80 | ITGB2 (1.00) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| SCHEMBL1784992 | 0.79 | CTNNB1 (0.44) | ITGB2ICAM1ITGALSMN1; SMN2GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090042874-A1 | ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS | WYETH (US) | 2009-02-12 | — | — | US | disclosed |
| WO-2008150848-A1 | ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS | WYETH (US) | 2008-12-11 | — | — | WO | 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-20090042874-A1 | ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS | HTR5A, CRH, CYP17A1 | ITGB2 2115/4885ICAM1 2961/4885ITGAL 2509/4885 |
“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.