Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | STS | P08842 | 4/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | NAAA | Q02083 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP12 | P39900 | 1/20 | 0.33 |
| ▸ | FABP7 | O15540 | 1/20 | 0.33 |
| ▸ | FABP5 | Q01469 | 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 | |
|---|---|---|---|---|
| SCHEMBL2531983 | 0.87 | EPHX1 (0.48) | EPHX1CA1CA2STSCYP2C19 | |
| SCHEMBL2528803 | 0.84 | EPHX1 (0.45) | EPHX1CA1CA2STSCYP2C19 | |
| SCHEMBL25333252 | 0.79 | EPHX1 (0.42) | EPHX1CA1CA2STSCYP2C19 | |
| SCHEMBL733037 | 0.76 | EPHX1 (0.47) | EPHX1CA1CA2STSCYP2C19 | |
| SCHEMBL31339503 | 0.74 | EPHX1 (0.45) | EPHX1CA1CA2STSCYP2C19 | |
| SCHEMBL27981763 | 0.74 | EPHX1 (0.45) | EPHX1CA1CA2STSCYP2C19 | |
| SCHEMBL31339498 | 0.74 | EPHX1 (0.45) | EPHX1CA1CA2STSCYP2C19 | |
| SCHEMBL6207813 | 0.74 | EPHX1 (0.45) | EPHX1CA1CA2STSCYP2C19 | |
| SCHEMBL11473389 | 0.74 | EPHX1 (0.45) | EPHX1CA1CA2STSCYP2C19 | |
| SCHEMBL27567894 | 0.72 | NAAA (0.46) | EPHX1CA1CA2STSCYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0512901-B1 | Aminated polycyclic compounds and their enantiomers, process for their preparation and pharmaceutical compositions containing them | SANOFI SA (FR) | 1999-06-23 | — | — | EP | disclosed |
| EP-0591040-B1 | Quaternary basic amides as tachykinines antagonists | SANOFI SA (FR) | 1999-02-03 | — | — | EP | disclosed |
| EP-0591040-A1 | Quaternary basic amides as tachykinines antagonists | SANOFI (FR) | 1994-04-06 | — | — | EP | disclosed |
| EP-0512901-A1 | Aminated polycyclic compounds and their enantiomers, process for their preparation and pharmaceutical compositions containing them | SANOFI (FR) | 1992-11-11 | — | — | EP | disclosed |