Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 3/20 | 0.39 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 2/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 7/20 | 0.36 |
| ▸ | PTAFR | P25105 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11065512 | 0.90 | MAPK14 (0.40) | AKR1B1SRD5A1DHODHMAPK14 | |
| SCHEMBL11070255 | 0.88 | AKR1B1 (0.40) | AKR1B1SRD5A1PTAFRPOLB | |
| SCHEMBL11066774 | 0.87 | SRD5A1 (0.43) | AKR1B1SRD5A1PTAFR | |
| SCHEMBL11158853 | 0.84 | AKR1B1 (0.50) | AKR1B1SRD5A1PTAFR | |
| SCHEMBL11071003 | 0.81 | MAPK14 (0.42) | SRD5A1MAPK14POLB | |
| SCHEMBL11073484 | 0.80 | AKR1B1 (0.43) | AKR1B1SRD5A1MAPK14MAPK1 | |
| SCHEMBL11068179 | 0.79 | L3MBTL1 (0.45) | AKR1B1SRD5A1POLB | |
| SCHEMBL11065609 | 0.77 | HRH1 (0.39) | AKR1B1SRD5A1MAPK1 | |
| SCHEMBL11178610 | 0.76 | AKR1B1 (0.32) | AKR1B1 | |
| SCHEMBL11073350 | 0.74 | AKR1B1 (0.45) | AKR1B1POLB |
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 |
|---|---|---|---|---|---|---|---|
| US-4444981-A | ANTIINFLAMMATORY, ANALGESICS | BEECHAM GROUP LIMITED (GB) | 1984-04-24 | — | — | US | disclosed |
| EP-0024807-B1 | BENZOCYCLOHEPTAPYRROLEALKANOIC ACIDS AND THEIR DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BEECHAM GROUP PLC (GB) | 1983-11-02 | — | — | EP | disclosed |
| EP-0024807-A1 | Benzocycloheptapyrrolealkanoic acids and their derivatives, processes for their preparation and pharmaceutical compositions containing them | BEECHAM GROUP PLC (GB) | 1981-03-11 | — | — | EP | disclosed |