Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.58 |
| ▸ | USP2 | O75604 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 9/20 | 0.55 |
| ▸ | RAB9A | P51151 | 8/20 | 0.55 |
| ▸ | TP53 | P04637 | 3/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 5/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.55 |
| ▸ | CASP3 | P42574 | 1/20 | 0.55 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.55 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL14013167 | 0.84 | NPC1 (0.54) | CYP3A4CYP2D6CYP2C19SMN1; SMN2NPC1 | |
| SCHEMBL10962287 | 0.82 | NPC1 (0.51) | CYP3A4CYP2D6CYP2C19SMN1; SMN2NPC1 | |
| SCHEMBL31710349 | 0.80 | MEN1 (0.60) | SMN1; SMN2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL11296729 | 0.80 | CYP3A4 (0.67) | CYP3A4CYP2D6CYP2C19SMN1; SMN2USP2 | |
| SCHEMBL10961667 | 0.79 | CYP3A4 (0.60) | CYP3A4CYP2D6CYP2C19SMN1; SMN2USP2 | |
| SCHEMBL3833358 | 0.78 | CYP3A4 (0.65) | CYP3A4CYP2D6CYP2C19SMN1; SMN2USP2 | |
| SCHEMBL10964923 | 0.78 | SMN1; SMN2 (0.55) | SMN1; SMN2MAPK1NPC1RAB9ATP53 | |
| SCHEMBL12799393 | 0.77 | NPC1 (0.46) | CYP3A4CYP2D6CYP2C19SMN1; SMN2NPC1 | |
| SCHEMBL16149341 | 0.77 | NPC1 (0.74) | SMN1; SMN2NPC1RAB9ATP53ALOX15 | |
| SCHEMBL16148074 | 0.77 | NPC1 (0.69) | SMN1; SMN2NPC1RAB9ATP53MEN1 |
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-0051819-A2 | Tetra-substituted benzene derivatives, their preparation and pharmaceutical preparations containing them | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1982-05-19 | — | — | EP | claimed |