Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | CHAT | P28329 | 1/20 | 0.38 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.38 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8326387 | 0.83 | TAAR1 (0.41) | ALDH1A1HPGDCYP3A4TAAR1 | |
| SCHEMBL14910878 | 0.82 | TAAR1 (0.50) | TAAR1 | |
| SCHEMBL8324571 | 0.82 | TP53 (0.43) | TAAR1ACP3RELA | |
| SCHEMBL8324064 | 0.81 | SCN4A (0.44) | CHRM5MAOBIDO1TDO2GRIK1 | |
| SCHEMBL8322584 | 0.81 | MAOA (0.49) | TAAR1MAOBNPSR1 | |
| SCHEMBL8327482 | 0.80 | CYP3A4 (0.42) | ALDH1A1HPGDCYP1A2CYP2C9MEN1 | |
| SCHEMBL16950868 | 0.78 | TSHR (0.45) | CHRM5CYP1A2CYP2C9MAOBCHAT | |
| SCHEMBL16957527 | 0.78 | CHRM5 (0.47) | CHRM5CYP1A2CYP2C9MEN1CYP2D6 | |
| SCHEMBL8324977 | 0.77 | IDO1 (0.49) | ALDH1A1CYP1A2CYP2C9MEN1CYP3A4 | |
| SCHEMBL1989041 | 0.73 | CHRM5 (0.54) | ALDH1A1CHRM5CYP1A2CYP2C9MEN1 |
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 |