Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7326694 | 1.00 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL7325219 | 0.89 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL7325213 | 0.89 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL10668624 | 0.78 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL10668611 | 0.78 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL7983994 | 0.78 | SMN1; SMN2 (0.42) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL10662062 | 0.78 | KDM4E (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL7984000 | 0.78 | SMN1; SMN2 (0.42) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL15026426 | 0.77 | CA1 (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL15026456 | 0.75 | MAPT (0.45) | CYP1A2CYP2C9CYP2C19PTGS2MEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0217142-A2 | A polyazaheterocyclic compound | Yoshitomi Pharmaceutical Industries, Ltd. (JP) | 1987-04-08 | — | — | EP | disclosed |