Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SKP2 | Q13309 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.46 |
| ▸ | CYP4F11 | Q9HBI6 | 1/20 | 0.46 |
| ▸ | CYP4F12 | Q9HCS2 | 1/20 | 0.46 |
| ▸ | RARB | P10826 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20565533 | 0.83 | SKP2 (0.57) | SKP2CYP3A4CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL4638579 | 0.83 | SKP2 (0.57) | SKP2CYP3A4CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL551744 | 0.78 | RARB (0.68) | SKP2CYP3A4CYP1A2RARBHPGD | |
| SCHEMBL21555386 | 0.78 | SKP2 (0.54) | SKP2CYP3A4CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL3423632 | 0.78 | SKP2 (0.54) | SKP2CYP3A4CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL6889098 | 0.77 | SMN1; SMN2 (0.64) | CYP3A4RARBHPGDSMN1; SMN2CA1 | |
| SCHEMBL15498456 | 0.74 | PPARA (0.50) | SKP2CYP3A4CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL5838115 | 0.74 | SKP2 (0.68) | SKP2CYP3A4CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL10885459 | 0.74 | CNR1 (0.44) | SKP2CYP3A4CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL19415783 | 0.73 | RARB (0.51) | SKP2CYP3A4RARBPPARAPPARG |
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 | claimed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | claimed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | claimed |