Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.51 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.51 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.41 |
| ▸ | PRKCI | P41743 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3786978 | 0.91 | MAOA (0.59) | CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL969270 | 0.86 | MAOA (0.67) | CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL7181909 | 0.80 | MKNK1 (0.47) | CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL3865773 | 0.80 | ALDH1A1 (0.48) | ALDH1A1KDM4EKIF11MKNK1MKNK2 | |
| SCHEMBL3785729 | 0.78 | PRKCI (0.58) | CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL17350172 | 0.76 | CYP3A4 (0.79) | CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL3787922 | 0.76 | TAAR1 (0.64) | CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL311194 | 0.75 | MAOA (0.84) | CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL31131353 | 0.75 | MAOA (0.84) | CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL29561461 | 0.75 | MAOA (0.84) | CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2 |
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-1408962-A1 | SUBSTITUTED ISOINDOLES AND THE USE THEREOF | Bayer HealthCare AG (DE) | 2004-04-21 | — | — | EP | disclosed |
| WO-2003007942-A1 | SUBSTITUTED ISOINDOLES AND THE USE THEREOF | BAYER HEALTHCARE AG (DE) | 2003-01-30 | — | — | WO | disclosed |