Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4647070 | 0.81 | CYP2A6 (0.33) | CYP2A6GPR35ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL4643410 | 0.79 | CYP2A6 (0.34) | CYP2A6 | |
| SCHEMBL4641921 | 0.78 | GPR35 (0.33) | CYP2A6GPR35 | |
| SCHEMBL4645455 | 0.73 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL5420853 | 0.73 | ALDH1A1 (0.35) | ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL22866625 | 0.71 | GPR35 (0.44) | GPR35ALDH1A1CYP1A2 | |
| SCHEMBL29559930 | 0.71 | GPR35 (0.44) | GPR35ALDH1A1CYP1A2 | |
| SCHEMBL4642305 | 0.68 | CYP2A6 (0.44) | CYP2A6ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL2314303 | 0.68 | CYP2A6 (0.53) | CYP2A6ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL22866628 | 0.68 | CHEK1 (0.38) | GPR35ALDH1A1CYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1298130-B1 | 3-HYDROXYMETHYLBENZO B THIOPHENE DERIVATIVES AND PROCESS FOR THEIR PREPARATION | TEIJIN PHARMA LTD (JP) | 2008-08-13 | — | — | EP | disclosed |
| US-6774245-B2 | SELECTIVE HYDROGENATION OF 7-SUBSTITUTED-3-HYDROXYMETHYL-BENZO(B)THIOPHENE DERIVATIVE; CYCLIZATION, SULFIDING | TEIJIN LIMITED (JP) | 2004-08-10 | — | — | US | disclosed |
| US-20030191325-A1 | 3-Hydroxymethylbenzo[b]thiophene derivatives and process for their preparation | TEIJIN LIMITED (JP) | 2003-10-09 | — | — | US | disclosed |
| EP-1298130-A1 | 3-HYDROXYMETHYLBENZO B THIOPHENE DERIVATIVES AND PROCESS FOR THEIR PREPARATION | TEIJIN LIMITED (JP) | 2003-04-02 | — | — | EP | 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-20030191325-A1 | 3-Hydroxymethylbenzo[b]thiophene derivatives and process for their preparation | TST, SULT1E1, CYP4B1 | CYP2A6 163/4885GPR35 3610/4885ALDH1A1 473/4885 |
“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.