Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 6/20 | 0.43 |
| ▸ | CFTR | P13569 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.31 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.30 |
| ▸ | AXL | P30530 | 1/20 | 0.30 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.30 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL1243818 | 0.90 | CYP19A1 (0.49) | CYP19A1CFTRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9965131 | 0.86 | CYP19A1 (0.41) | CYP19A1CFTRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1242629 | 0.84 | CYP19A1 (0.57) | CYP19A1CYP17A1KCNA5CYP3A4 | |
| SCHEMBL1243320 | 0.78 | CYP19A1 (0.44) | CYP19A1CFTRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1242145 | 0.77 | CYP19A1 (0.45) | CYP19A1CYP17A1KCNA5ALDH1A1 | |
| SCHEMBL9965132 | 0.76 | KCNA5 (0.40) | CYP19A1CFTRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1242375 | 0.72 | CFTR (0.41) | CYP19A1CFTRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4047293 | 0.71 | CFTR (0.43) | CYP19A1CFTRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9965135 | 0.70 | CYP19A1 (0.70) | CYP19A1SMN1; SMN2NOTUMMEN1ALDH1A1 | |
| SCHEMBL27684288 | 0.70 | CYP19A1 (0.46) | CYP19A1CFTRSLC6A2SLC6A4SLC6A3 |
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-2012082746-A2 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2012-06-21 | — | — | WO | disclosed |