Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | BLM | P54132 | 2/20 | 0.53 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.53 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.53 |
| ▸ | PGR | P06401 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.53 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.53 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9581143 | 0.93 | CYP3A4 (0.60) | CYP3A4BLMSLC22A2SLC22A1PGR | |
| SCHEMBL10919978 | 0.88 | CYP3A4 (0.53) | CYP3A4BLMSLC22A2SLC22A1PGR | |
| SCHEMBL11600252 | 0.82 | KCNH2 (0.51) | CYP3A4BLMSLC22A2SLC22A1PGR | |
| SCHEMBL11619910 | 0.79 | CYP2D6 (0.70) | CYP3A4BLMSLC22A2SLC22A1PGR | |
| SCHEMBL10516752 | 0.78 | TDP1 (0.44) | CYP3A4BLMSLC22A2SLC22A1PGR | |
| SCHEMBL11599547 | 0.78 | CYP2D6 (0.68) | CYP3A4BLMSLC22A2SLC22A1PGR | |
| SCHEMBL11616453 | 0.78 | CYP2D6 (0.53) | CYP3A4BLMSLC22A2SLC22A1PGR | |
| SCHEMBL11537649 | 0.77 | KCNH2 (0.55) | CYP3A4BLMSLC22A2SLC22A1PGR | |
| SCHEMBL10945741 | 0.77 | KCNH2 (0.87) | CYP3A4BLMSLC22A2SLC22A1PGR | |
| SCHEMBL11472302 | 0.76 | EBP (0.39) | CYP3A4BLMSLC22A2SLC22A1PGR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0104647-B1 | PYRIDOPYRIMIDINONES | G.D. Searle & Co. (US) | 1988-03-30 | — | — | EP | disclosed |
| US-4560754-A | Substituted 5-phenyl-5-(aminoalkyl)-1,3-diazabicyclo[4.4.0]decan-4-ones and 5-phenyl-5-(aminoalkyl)-1,3-diazabicyclo[4.4.0]dec-2-en-4-ones | G. D. SEARLE & CO. (US) | 1985-12-24 | — | — | US | disclosed |
| EP-0104647-A2 | Pyridopyrimidinones | G.D. Searle & Co. (US) | 1984-04-04 | — | — | EP | disclosed |