Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | HK1 | P19367 | 1/20 | 0.41 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 6/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8327314 | 0.74 | CYP11B2 (0.37) | CYP1A2HSD17B10CYP2A6ALDH1A1CYP2A13 | |
| SCHEMBL7856161 | 0.74 | CHRNB4 (0.44) | CYP1A2CYP3A4HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL8328584 | 0.72 | MKNK1 (0.44) | CYP11B2 | |
| SCHEMBL8028928 | 0.71 | CYP1A2 (0.47) | CYP1A2CYP3A4HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL929352 | 0.71 | MKNK1 (0.43) | CYP1A2CYP3A4HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL10738674 | 0.69 | CYP2A6 (0.44) | CYP1A2CYP3A4HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL2752518 | 0.69 | MKNK1 (0.40) | CYP1A2CYP3A4HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL2344003 | 0.64 | CYP11B1 (0.36) | CYP1A2CYP3A4CYP2A6ALDH1A1LMNA | |
| SCHEMBL6951232 | 0.64 | CYP2A6 (0.61) | CYP1A2CYP3A4HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL8331912 | 0.64 | CYP2A6 (0.41) | CYP1A2CYP3A4HSD17B10CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0946555-A1 | PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Aventis Pharma S.A. (FR) | 1999-10-06 | — | — | EP | claimed |
| WO-1998025925-A1 | PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | RHONE-POULENC RORER S.A. (FR) | 1998-06-18 | — | — | WO | claimed |