Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | F2RL3 | Q96RI0 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30189776 | 0.89 | CA12 (0.45) | LMNACYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL21395510 | 0.89 | CA12 (0.45) | LMNACYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL19783354 | 0.78 | CA12 (0.44) | CA12CA1CA2CA9LCK | |
| SCHEMBL30189679 | 0.78 | CA12 (0.47) | CA12CA1CA2CA9LCK | |
| SCHEMBL19782863 | 0.78 | CA12 (0.47) | CA12CA1CA2CA9LCK | |
| SCHEMBL30189761 | 0.78 | CA12 (0.44) | CA12CA1CA2CA9LCK | |
| SCHEMBL30189608 | 0.78 | CA12 (0.44) | CA12CA1CA2CA9BRD4 | |
| SCHEMBL19782885 | 0.78 | CA12 (0.44) | CA12CA1CA2CA9BRD4 | |
| SCHEMBL19782843 | 0.78 | CA12 (0.44) | CA12CA1CA2CA9GAA | |
| SCHEMBL19783101 | 0.76 | CA12 (0.43) | CA12CA1CA2CA9BRD4 |
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-2018013774-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-01-18 | — | — | WO | disclosed |