Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.55 |
| ▸ | CYP4F11 | Q9HBI6 | 1/20 | 0.55 |
| ▸ | CYP4F12 | Q9HCS2 | 1/20 | 0.55 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11063765 | 0.87 | CYP3A4 (0.55) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL1019112 | 0.84 | CYP3A4 (0.55) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL18245395 | 0.84 | CYP3A4 (0.41) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL11514099 | 0.83 | ALDH1A1 (0.41) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL25918290 | 0.82 | HSD17B10 (0.40) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL30604640 | 0.81 | ESR1 (0.44) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL9547690 | 0.81 | ESR1 (0.44) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL484214 | 0.81 | ESR1 (0.44) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL349237 | 0.78 | P2RY6 (0.37) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL1457664 | 0.74 | P2RY6 (0.70) | CYP3A4CYP2D6CYP2C9HPGDP2RY6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1126833-A4 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES INC (US) | 2004-09-08 | — | — | EP | disclosed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | disclosed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | disclosed |