Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.56 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | IDE | P14735 | 1/20 | 0.44 |
| ▸ | UBE2N | P61088 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7528890 | 0.91 | CYP1A2 (0.53) | SIGMAR1CTNNB1SLC6A4CYP1A2CYP2D6 | |
| SCHEMBL8877478 | 0.81 | CYP1A2 (0.48) | SIGMAR1CTNNB1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL9395129 | 0.80 | CTNNB1 (0.54) | SIGMAR1CTNNB1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL4817490 | 0.80 | CYP1A2 (0.47) | SIGMAR1CTNNB1SLC6A4CYP1A2CYP2D6 | |
| SCHEMBL331127 | 0.79 | GABRA1 (0.54) | SIGMAR1CTNNB1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL31332121 | 0.79 | EPHX1 (0.61) | SIGMAR1CTNNB1SLC6A2TAAR1MAOA | |
| SCHEMBL27318580 | 0.79 | CYP1A2 (0.46) | SIGMAR1CTNNB1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL5830799 | 0.78 | SIGMAR1 (0.46) | SIGMAR1CTNNB1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL14667583 | 0.78 | PSMB5 (0.53) | SIGMAR1CTNNB1SLC6A2TAAR1MAOA | |
| SCHEMBL8326605 | 0.78 | CYP2D6 (0.50) | SIGMAR1CTNNB1SLC6A2SLC6A4SLC6A3 |
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 |