Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 6/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | RAB9A | P51151 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21975016 | 0.83 | MEN1 (0.41) | CYP2C19CYP2A6CYP2E1CYP3A4CYP2D6 | |
| SCHEMBL9922005 | 0.64 | LMNA (0.53) | CYP2C19CYP1A2CYP2C9NPC1KDM4E | |
| SCHEMBL10073332 | 0.63 | CYP2A6 (0.68) | CYP2C19CYP1A2CYP2A6CYP2E1CYP3A4 | |
| SCHEMBL26980580 | 0.63 | MRGPRX1 (1.00) | CYP2C19CYP1A2MRGPRX1CYP2C9NPC1 | |
| SCHEMBL2155265 | 0.63 | MAPT (0.64) | NPC1KDM4ERAB9AHTTPOLB | |
| SCHEMBL15046247 | 0.63 | CYP19A1 (0.66) | CYP2C19CYP1A2CYP2A6CYP2E1CYP3A4 | |
| SCHEMBL11996131 | 0.63 | CYP19A1 (0.71) | CYP2C19CYP1A2CYP2A6CYP2E1CYP3A4 | |
| SCHEMBL14727430 | 0.62 | CYP11B1 (0.57) | CYP2C19CYP1A2CYP2A6CYP2E1CYP3A4 | |
| SCHEMBL2154912 | 0.62 | HPGD (0.56) | CYP2C19CYP1A2CYP2A6CYP2E1CYP3A4 | |
| SCHEMBL19578217 | 0.62 | CYP19A1 (0.51) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3647313-A1 | SUBSTITUTED ARYL ETHER COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF | Xiamen University (CN) | 2020-05-06 | — | — | EP | disclosed |