Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CASR | P41180 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SSTR4 | P31391 | 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL2412475 | 0.90 | CYP1A2 (0.48) | SLC6A2CYP2D6CYP1A2CYP2C19SIGMAR1 | |
| SCHEMBL30119619 | 0.83 | CYP1A2 (0.46) | SLC6A2CYP2D6CYP1A2CYP2C19SIGMAR1 | |
| SCHEMBL7037475 | 0.80 | CYP1A2 (0.50) | SLC6A2TAAR1CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL516033 | 0.80 | TAAR1 (0.73) | SLC6A2TAAR1CYP2D6CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL7217846 | 0.79 | CYP1A2 (0.48) | SLC6A2TAAR1CYP2D6CYP1A2CYP2C19 | |
| Ammonia Solution, Strong SCHEMBL2477835 | 0.78 | SLC6A2 (0.70) | SLC6A2TAAR1CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL808870 | 0.77 | TDP1 (0.53) | SLC6A2CYP2D6CYP1A2CYP2C19SIGMAR1 | |
| SCHEMBL31675157 | 0.76 | CYP2D6 (0.53) | SLC6A2CYP2D6CYP1A2CYP2C19SIGMAR1 | |
| SCHEMBL11586023 | 0.76 | CYP2D6 (0.53) | SLC6A2CYP2D6CYP1A2CYP2C19SIGMAR1 | |
| SCHEMBL29981949 | 0.75 | TDP1 (0.53) | CYP1A2TDP1CASRKMT2ASSTR4 |
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 |