Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14910878 | 0.87 | TAAR1 (0.50) | TAAR1AOC3TRPA1RIPK1 | |
| SCHEMBL8325764 | 0.84 | TAAR1 (0.44) | TAAR1AOC3TRPA1RIPK1SMN1; SMN2 | |
| SCHEMBL8329048 | 0.81 | NPC1 (0.46) | TAAR1POLBCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8325507 | 0.79 | TRPA1 (0.50) | TAAR1TRPA1ALDH1A1 | |
| SCHEMBL8327108 | 0.79 | NFE2L2 (0.44) | NFE2L2ALDH1A1MAPTALOX15TSHR | |
| SCHEMBL8327482 | 0.78 | CYP3A4 (0.42) | TAAR1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL19317395 | 0.75 | TRPA1 (0.53) | TAAR1POLBAOC3CYP3A4CYP2D6 | |
| SCHEMBL8326387 | 0.74 | TAAR1 (0.41) | TAAR1AOC3CYP3A4TRPA1RIPK1 | |
| SCHEMBL8324571 | 0.72 | TP53 (0.43) | TAAR1AOC3NPC1TRPA1RIPK1 | |
| SCHEMBL15515987 | 0.72 | NFE2L2 (0.48) | NFE2L2CYP3A4CYP2D6CYP2C9CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0948496-A2 | SUBSTITUTED PYRIMIDINONE AND PYRIDONE COMPOUNDS AND METHODS OF USE | Amgen inc. (US) | 1999-10-13 | — | — | EP | disclosed |
| WO-1998024780-A2 | SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE | AMGEN INC. (US) | 1998-06-11 | — | — | WO | disclosed |