Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAOB | P27338 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27670852 | 0.88 | ALPG (0.44) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL27271371 | 0.86 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL27650757 | 0.84 | TAAR1 (0.55) | CYP3A4MAOBMAOATAAR1 | |
| SCHEMBL30753710 | 0.78 | ALDH1A1 (0.50) | ALDH1A1MAOBPOLBMAOAMEN1 | |
| SCHEMBL30418111 | 0.75 | MAOA (0.47) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL5043256 | 0.73 | KIF11 (0.49) | ALDH1A1MAOBPOLBMEN1KMT2A | |
| SCHEMBL6287589 | 0.72 | CYP3A4 (0.57) | CYP1A2CYP3A4CYP2D6CYP2C19GRIN2B | |
| SCHEMBL12879673 | 0.72 | GRM5 (0.44) | ALDH1A1MAOBPOLBMAOAMAPT | |
| SCHEMBL21331798 | 0.72 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL30487707 | 0.72 | GRM5 (0.44) | ALDH1A1MAOBPOLBMAOAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-1902201-A | Bicyclic pyrimidin-4-(3H)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1 receptor (VR1) | MERCK SHARP & DOHME (GB) | 2007-01-24 | — | — | CN | claimed |
| CN-1902201-A | Bicyclic pyrimidin-4-(3H)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1 receptor (VR1) | MERCK SHARP & DOHME (GB) | 2007-01-24 | — | — | CN | disclosed |