Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | GPR132 | Q9UNW8 | 7/20 | 0.57 |
| ▸ | CMKLR2 | P46091 | 1/20 | 0.56 |
| ▸ | CMKLR1 | Q99788 | 1/20 | 0.56 |
| ▸ | ACE | P12821 | 2/20 | 0.53 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.53 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.53 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.53 |
| ▸ | NAMPT | P43490 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2495367 | 1.00 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19GPR132 | |
| SCHEMBL5458748 | 0.86 | ITGB3 (0.65) | ACEPIN1ITGB3ITGA2B | |
| SCHEMBL4153095 | 0.86 | ITGB3 (0.65) | ACEPIN1ITGB3ITGA2B | |
| SCHEMBL4153101 | 0.86 | ITGB3 (0.65) | ACEPIN1ITGB3ITGA2B | |
| SCHEMBL6035865 | 0.85 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19NAMPT | |
| SCHEMBL27595249 | 0.83 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2C9CYP2C19NAMPT | |
| SCHEMBL6307446 | 0.82 | GPR132 (0.54) | CYP1A2CYP3A4CYP2C9GPR132CMKLR2 | |
| SCHEMBL6307451 | 0.82 | GPR132 (0.54) | CYP1A2CYP3A4CYP2C9GPR132CMKLR2 | |
| SCHEMBL21625039 | 0.82 | CYP3A4 (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19GPR132 | |
| SCHEMBL21625040 | 0.82 | CYP3A4 (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19GPR132 |
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-0817795-B1 | NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR | NAEJA PHARMACEUTICAL INC (CA) | 2000-11-15 | — | — | EP | claimed |
| US-5986108-A | ENZYME INHIBITORS | SYNPHAR LABORATORIES, INC. (CA) | 1999-11-16 | — | — | US | claimed |