Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | CA7 | P43166 | 2/20 | 0.55 |
| ▸ | CA9 | Q16790 | 2/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.55 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.55 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | PDE5A | O76074 | 1/20 | 0.45 |
| ▸ | YAP1 | P46937 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12316317 | 0.99 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5376889 | 0.90 | HIF1A (0.51) | HIF1AMAOBMAOAPDE5AYAP1 | |
| SCHEMBL24379188 | 0.87 | HIF1A (0.48) | GAAHIF1AMAOBMAOAPDE5A | |
| SCHEMBL1376229 | 0.84 | MAOB (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12479113 | 0.84 | ALDH1A1 (0.58) | ALDH1A1HIF1AMAOBMAOAPTGS1 | |
| SCHEMBL27108931 | 0.83 | HIF1A (0.60) | GAAHIF1APDE5APTGS1PTGS2 | |
| SCHEMBL7400353 | 0.83 | CA12 (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5711574 | 0.82 | HSP90AB1 (0.54) | GAAALDH1A1HIF1ASMN1; SMN2MAOB | |
| SCHEMBL1317567 | 0.81 | HRH3 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12316318 | 0.81 | PARP10 (0.55) | ALDH1A1HIF1AMAOBMAOAPTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5686482-A | DOPAMINE RECEPTOR ANTAGONIST | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1997-11-11 | — | — | US | disclosed |
| EP-0757985-A1 | N-(3-PYRROLIDINYL)BENZAMIDE DERIVATIVE | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1997-02-12 | — | — | EP | disclosed |