Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.31 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | CTSG | P08311 | 1/20 | 0.30 |
| ▸ | CMA1 | P23946 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2314303 | 0.78 | CYP2A6 (0.53) | CYP2A6SMN1; SMN2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL4644784 | 0.69 | CYP2A6 (0.52) | CYP2A6SMN1; SMN2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL4643410 | 0.68 | CYP2A6 (0.34) | CYP2A6 | |
| SCHEMBL4644091 | 0.68 | CYP2A6 (0.34) | CYP2A6ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL4646820 | 0.67 | CYP2A6 (0.30) | CYP2A6 | |
| SCHEMBL4641921 | 0.67 | GPR35 (0.33) | CYP2A6 | |
| SCHEMBL15729955 | 0.67 | CYP2A6 (0.53) | CYP2A6SMN1; SMN2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL5267734 | 0.67 | CYP2A6 (0.58) | CYP2A6SMN1; SMN2TP53RXFP1LMNA | |
| SCHEMBL358606 | 0.66 | PDCD1 (0.43) | CYP2A6SMN1; SMN2ALDH1A1CYP1A2PDCD1 | |
| SCHEMBL4426300 | 0.65 | CYP2A6 (0.46) | CYP2A6 |
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 163/4885SMN1; SMN2 4363/4885ALDH1A1 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.