Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL4644766 | 0.82 | — | — | |
| SCHEMBL6127812 | 0.81 | KDM4E (0.33) | CYP2A6 | |
| SCHEMBL4643410 | 0.77 | CYP2A6 (0.34) | CYP2A6 | |
| SCHEMBL787846 | 0.68 | CYP2A6 (0.42) | CYP2A6KMT2A | |
| SCHEMBL29908309 | 0.68 | CYP2A6 (0.42) | CYP2A6KMT2A | |
| SCHEMBL9616005 | 0.67 | CYP3A4 (0.36) | CYP3A4 | |
| SCHEMBL12266499 | 0.66 | PDPK1 (0.33) | — | |
| SCHEMBL1328750 | 0.65 | PDPK1 (0.43) | CYP2A6 | |
| SCHEMBL30184527 | 0.65 | PDPK1 (0.43) | CYP2A6 | |
| SCHEMBL23584362 | 0.65 | CYP3A4 (0.34) | CYP3A4MEN1KMT2A |
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 1 patent. 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 |