Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.39 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8324981 | 0.84 | GRIN1 (0.43) | TAAR1SIGMAR1SLC18A2TP53NPC1 | |
| SCHEMBL8322850 | 0.84 | NFE2L2 (0.45) | TAAR1SIGMAR1SLC18A2NPC1 | |
| SCHEMBL8325015 | 0.84 | MAOA (0.45) | TAAR1SIGMAR1SLC18A2TDP1SLC6A2 | |
| SCHEMBL8325444 | 0.83 | TAAR1 (0.46) | TAAR1SIGMAR1SLC18A2SLC6A2MAOA | |
| SCHEMBL8322028 | 0.82 | TAAR1 (0.44) | TAAR1SIGMAR1SLC18A2BACE1SLC6A2 | |
| SCHEMBL8326920 | 0.80 | HTR2A (0.46) | SIGMAR1TP53NPC1SLC6A2SLC6A4 | |
| SCHEMBL8324318 | 0.80 | TAAR1 (0.44) | TAAR1SIGMAR1SLC18A2TP53TDP1 | |
| SCHEMBL8324682 | 0.76 | TP53 (0.40) | TAAR1SIGMAR1TP53TDP1NPC1 | |
| SCHEMBL8324972 | 0.75 | TAAR1 (0.44) | TAAR1SIGMAR1SLC18A2POLBALDH1A1 | |
| SCHEMBL8322029 | 0.74 | CYP3A4 (0.40) | TAAR1SIGMAR1SLC18A2NPC1SLC6A2 |
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 |