Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | CAPN1 | P07384 | 2/20 | 0.43 |
| ▸ | SMPD2 | O60906 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4819774 | 0.81 | SMPD2 (0.42) | SMPD2ALDH1A1F2LMNA | |
| SCHEMBL8322787 | 0.80 | CAPN1 (0.49) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL8325552 | 0.80 | CAPN1 (0.41) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL6027641 | 0.79 | SMPD2 (0.41) | CYP2A6SMPD2ALDH1A1F2LMNA | |
| SCHEMBL6707342 | 0.77 | SMPD2 (0.43) | SMPD2ALDH1A1CYP2D6F2LMNA | |
| SCHEMBL3243723 | 0.76 | ALDH1A1 (0.45) | CYP2A6SMPD2ALDH1A1F2LMNA | |
| SCHEMBL6709477 | 0.75 | SMPD2 (0.39) | SMPD2ALDH1A1MAPTF2LMNA | |
| SCHEMBL7616489 | 0.74 | SMPD2 (0.42) | SLC6A4CYP2A6SMPD2ALDH1A1F2 | |
| SCHEMBL6709427 | 0.73 | ALDH1A1 (0.50) | SMPD2ALDH1A1F2LMNA | |
| SCHEMBL4189468 | 0.70 | ACP3 (0.55) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 |
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 |