Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | USP2 | O75604 | 1/20 | 0.54 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.52 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.51 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.51 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.51 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28150000 | 0.87 | MAPT (0.54) | CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6 | |
| SCHEMBL19742865 | 0.77 | CYP11B1 (0.68) | CYP1A2CYP3A4CYP2D6CYP19A1CYP11B1 | |
| SCHEMBL28140205 | 0.77 | CYP11B1 (0.63) | CYP1A2CYP3A4CYP2D6CYP19A1CYP11B1 | |
| SCHEMBL16632024 | 0.77 | NAMPT (0.51) | CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6 | |
| SCHEMBL159804 | 0.76 | CYP11B1 (0.47) | CYP11B1CYP11B2 | |
| SCHEMBL16632031 | 0.76 | NAMPT (0.45) | CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6 | |
| SCHEMBL1024261 | 0.75 | CYP11B1 (0.84) | CYP1A2CYP3A4CYP2D6CYP19A1CYP11B1 | |
| SCHEMBL164101 | 0.74 | CYP11B1 (0.47) | CYP1A2CYP3A4CYP2D6CYP19A1CYP11B1 | |
| Hydrochloric Acid SCHEMBL1775141 | 0.74 | CYP11B1 (0.81) | CYP1A2CYP3A4CYP2D6CYP19A1CYP11B1 | |
| SCHEMBL21500640 | 0.73 | CYP11B1 (0.55) | CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103384668-B | compounds and compositions for inhibition of NAMPT | 福马TM有限责任公司 | 2017-05-31 | — | — | CN | claimed |