Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.73 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.73 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | MME | P08473 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 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 | |
|---|---|---|---|---|
| SCHEMBL4776145 | 1.00 | CYP3A4 (0.73) | CYP3A4CYP2C9MCL1RECQLCES1 | |
| SCHEMBL453849 | 0.85 | CYP3A4 (0.79) | CYP3A4CYP2C9RECQLCES1CES2 | |
| SCHEMBL58023 | 0.85 | CYP3A4 (1.00) | CYP3A4CYP2C9RECQLCES1CES2 | |
| SCHEMBL453850 | 0.85 | CYP3A4 (0.79) | CYP3A4CYP2C9RECQLCES1CES2 | |
| SCHEMBL58024 | 0.85 | CYP3A4 (1.00) | CYP3A4CYP2C9RECQLCES1CES2 | |
| SCHEMBL2957009 | 0.83 | CYP3A4 (0.96) | CYP3A4CYP2C9RECQLCES1CES2 | |
| SCHEMBL28332697 | 0.82 | CYP3A4 (0.53) | CYP3A4CYP2C9MCL1RECQLMME | |
| SCHEMBL28263544 | 0.82 | CYP3A4 (0.54) | CYP3A4CYP2C9MCL1RECQLNPC1 | |
| SCHEMBL22147 | 0.81 | CYP3A4 (0.73) | CYP3A4CYP2C9RECQLCES1CES2 | |
| SCHEMBL30814247 | 0.81 | CYP3A4 (0.79) | CYP3A4CYP2C9RECQLCES1CES2 |
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-1556032-A1 | AGENT FOR PREVENTING OR TREATING NEUROPATHY | Takeda Pharmaceutical Company Limited (JP) | 2005-07-27 | — | — | EP | disclosed |
| WO-2004039365-A1 | AGENT FOR PREVENTING OR TREATING NEUROPATHY | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2004-05-13 | — | — | WO | disclosed |