Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCKBR | P32239 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | PDE6D | O43924 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11322274 | 0.96 | ALOX5 (0.44) | CCKBRCYP3A4CYP2D6CYP2C19ALOX5 | |
| SCHEMBL11328953 | 0.87 | HDAC6 (0.44) | HDAC6SMN1; SMN2ALDH1A1MAPK1MAPK14 | |
| SCHEMBL11320450 | 0.86 | ALOX5 (0.45) | CCKBRCYP3A4CYP2D6CYP2C19ALOX5 | |
| SCHEMBL11327056 | 0.82 | POLB (0.43) | SMN1; SMN2ALDH1A1MAPK1MAPK14TRPM8 | |
| SCHEMBL11333367 | 0.81 | ALOX5 (0.46) | CYP3A4CYP2D6CYP2C19ALOX5CXCR3 | |
| SCHEMBL11324734 | 0.79 | PDE6D (0.45) | PDE6DBCHEACHE | |
| SCHEMBL24309161 | 0.78 | PDE6D (0.61) | CYP3A4PDE6DHDAC6SMN1; SMN2ALDH1A1 | |
| SCHEMBL11317245 | 0.77 | PTGIR (0.42) | CYP3A4CYP2D6CYP2C19ALOX5SMN1; SMN2 | |
| SCHEMBL11340956 | 0.76 | SMN1; SMN2 (0.41) | CCKBRCYP3A4CYP2D6CYP2C19ALOX5 | |
| SCHEMBL11317146 | 0.75 | CYP4F2 (0.46) | CYP3A4CYP2D6CYP2C19ALOX5SMN1; SMN2 |
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-4250183-A | GASTOINTESTINAL DISORDERS; DISEASES OF THE PANCREAS, GALL BLADDER, AND LIVER | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1981-02-10 | — | — | US | disclosed |
| US-4243678-A | GASTROINTESTINAL DISORDERS, LIVER DISORDERS | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1981-01-06 | — | — | US | disclosed |