Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 4/20 | 0.31 |
| ▸ | CA9 | Q16790 | 4/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.30 |
| ▸ | CA2 | P00918 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21916428 | 1.00 | CYP19A1 (0.34) | CYP19A1CA12CA9LMNACYP3A4 | |
| SCHEMBL18550781 | 0.79 | DRD2 (0.36) | CYP19A1LMNACYP3A4CYP2C9MAPK1 | |
| SCHEMBL21833718 | 0.79 | DRD2 (0.36) | CYP19A1LMNACYP3A4CYP2C9MAPK1 | |
| SCHEMBL21833716 | 0.79 | DRD2 (0.36) | CYP19A1LMNACYP3A4CYP2C9MAPK1 | |
| SCHEMBL2585385 | 0.71 | CYP19A1 (0.40) | CYP19A1CA12CA9LMNACYP3A4 | |
| SCHEMBL13677475 | 0.71 | CYP19A1 (0.40) | CYP19A1LMNACYP3A4CYP2C9MAPK1 | |
| SCHEMBL4266335 | 0.71 | CYP19A1 (0.40) | CYP19A1CA12CA9LMNACYP3A4 | |
| SCHEMBL21916584 | 0.70 | — | — | |
| SCHEMBL23273202 | 0.67 | OAT (0.42) | CYP19A1LMNACYP3A4CYP2C9MAPK1 | |
| SCHEMBL399295 | 0.66 | CYP19A1 (0.37) | CYP19A1CA12CA9LMNACYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017029601-A1 | HETEROARYL DERIVATIVES AS PARP INHIBITORS | LUPIN LIMITED (IN) | 2017-02-23 | — | — | WO | disclosed |