Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.41 |
| ▸ | KIF11 | P52732 | 2/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MDM4 | O15151 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 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 | 0.85 | TAAR1 (0.50) | TAAR1AOC3TRPA1RIPK1HTR2A | |
| SCHEMBL8324571 | 0.85 | TP53 (0.43) | TAAR1AOC3TRPA1RIPK1TP53 | |
| SCHEMBL8328586 | 0.83 | ALDH1A1 (0.46) | TAAR1ALDH1A1CYP3A4HPGD | |
| SCHEMBL8326302 | 0.83 | HTR2A (0.41) | KIF11HTR2A | |
| SCHEMBL8322584 | 0.83 | MAOA (0.49) | TAAR1AOC3HTR2AMAPT | |
| SCHEMBL8324977 | 0.80 | IDO1 (0.49) | HTR2AALDH1A1CYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL8322751 | 0.78 | LMNA (0.37) | TAAR1KIF11PPARGKDM4EMDM4 | |
| SCHEMBL16105690 | 0.76 | AHR (0.52) | KDM4EMDM4ALDH1A1CA1CA2 | |
| SCHEMBL16105692 | 0.76 | AHR (0.52) | KDM4EMDM4ALDH1A1CA1CA2 | |
| SCHEMBL16105818 | 0.76 | AHR (0.52) | KDM4EMDM4ALDH1A1CA1CA2 |
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 |