Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 5/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.44 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | OXER1 | Q8TDS5 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9766045 | 0.84 | MEN1 (0.51) | ALDH1A1SMN1; SMN2MAPTKDM4EHPGD | |
| SCHEMBL8367148 | 0.83 | AKR1C3 (0.49) | ALDH1A1HTTMAPTKDM4EHPGD | |
| SCHEMBL8457832 | 0.83 | KDM4E (0.48) | ALDH1A1SMN1; SMN2MAPTKDM4EHPGD | |
| SCHEMBL8366307 | 0.81 | ALDH1A1 (0.47) | ALDH1A1HTTSMN1; SMN2MAPTHPGD | |
| SCHEMBL9157244 | 0.81 | KDM4E (0.56) | ALDH1A1MAPTKDM4EHPGDHSD17B10 | |
| SCHEMBL9156302 | 0.81 | KDM4E (0.46) | ALDH1A1MAPTKDM4EHPGDHSD17B10 | |
| SCHEMBL8366206 | 0.81 | KDM4E (0.55) | ALDH1A1SMN1; SMN2MAPTKDM4EHPGD | |
| SCHEMBL8366369 | 0.80 | ALDH1A1 (0.44) | ALDH1A1MAPTKDM4EHPGDHSD17B10 | |
| SCHEMBL6242130 | 0.79 | KMT2A (0.52) | ALDH1A1HTTMAPTKDM4EHPGD | |
| SCHEMBL8369444 | 0.79 | ALDH1A1 (0.45) | ALDH1A1HTTSMN1; SMN2MAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-1094490-C | Quinolin-2 (1H) -one derivatives as serotonin antagonists | SANOFI SYNTHELABO (FR) | 2002-11-20 | — | — | CN | disclosed |
| US-5958924-A | HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS, RESTENOSIS, ANTICOALUGANTS, RESPIRATORY SYSTEM DISORDERS | SYNTHELABO (FR) | 1999-09-28 | — | — | US | disclosed |
| CN-1202168-A | Quinolein-2(1H)-one derivatives as serotonin antagonists | SYNTHELABO (FR) | 1998-12-16 | — | — | CN | disclosed |