Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.64 |
| ▸ | MAPT | P10636 | 3/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.64 |
| ▸ | NPC1 | O15118 | 2/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.64 |
| ▸ | HPGD | P15428 | 1/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.64 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 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 | |
|---|---|---|---|---|
| SCHEMBL11652125 | 1.00 | CYP3A4 (0.64) | CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL929235 | 0.78 | CYP3A4 (1.00) | CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29532077 | 0.78 | CYP3A4 (1.00) | CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29428987 | 0.76 | MAPT (0.95) | CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL22146860 | 0.75 | CYP3A4 (0.76) | CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29564389 | 0.74 | — | — | |
| SCHEMBL28843608 | 0.74 | — | — | |
| SCHEMBL170846 | 0.74 | — | — | |
| SCHEMBL1922269 | 0.73 | CYP3A4 (0.76) | CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1141474 | 0.72 | TSHR (0.54) | CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-4116956-A | BENZODIAZEPINE DERIVATIVES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1978-09-26 | — | — | US | disclosed |