Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 5/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8369444 | 0.87 | ALDH1A1 (0.45) | ALDH1A1HTTSMN1; SMN2RXFP1CNR1 | |
| SCHEMBL8364438 | 0.82 | THRB (0.43) | ALDH1A1HTTRXFP1KCNH2THRB | |
| SCHEMBL8364439 | 0.81 | ALDH1A1 (0.49) | ALDH1A1HTTSMN1; SMN2RXFP1TP53 | |
| SCHEMBL9153374 | 0.80 | KDM4E (0.56) | ALDH1A1HTTSMN1; SMN2MAPTGAA | |
| SCHEMBL8366314 | 0.79 | BRD1 (0.42) | MAPTHSD17B10 | |
| SCHEMBL6242735 | 0.77 | CDK2 (0.47) | RXFP1KCNH2 | |
| SCHEMBL21979134 | 0.74 | NQO2 (0.61) | ALDH1A1HTTSMN1; SMN2RXFP1TP53 | |
| SCHEMBL5780369 | 0.72 | CNR1 (0.57) | SMN1; SMN2RXFP1CNR1MAPT | |
| SCHEMBL24095575 | 0.72 | HSD17B10 (0.69) | RXFP1MAPTALOX15TSHRLMNA | |
| SCHEMBL8366153 | 0.71 | THRB (0.43) | ALDH1A1HTTSMN1; SMN2RXFP1CNR1 |
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-0850235-B1 | QUINOLEIN-2(1H)-ONE DERIVATIVES AS SEROTONIN ANTAGONISTS | SANOFI SYNTHELABO (FR) | 1999-12-01 | — | — | EP | disclosed |
| US-5958924-A | HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS, RESTENOSIS, ANTICOALUGANTS, RESPIRATORY SYSTEM DISORDERS | SYNTHELABO (FR) | 1999-09-28 | — | — | US | disclosed |