Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ACE | P12821 | 1/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | TOP2A | P11388 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11088418 | 0.74 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C19KMT2AALDH1A1 | |
| SCHEMBL711239 | 0.73 | CYP3A4 (0.52) | CYP3A4CYP2D6CYP2C19ALDH1A1CYP4F2 | |
| SCHEMBL11091798 | 0.73 | ALDH1A1 (0.46) | CYP3A4CYP2D6CYP2C19KMT2AALDH1A1 | |
| SCHEMBL11092690 | 0.73 | KMT2A (0.50) | CYP3A4CYP2C19KMT2AALDH1A1NAMPT | |
| SCHEMBL11267493 | 0.71 | ALOX5 (0.43) | CYP3A4CYP2D6CYP2C19KMT2AALDH1A1 | |
| Bromide SCHEMBL11083780 | 0.71 | ALOX5 (0.49) | KMT2AALDH1A1CYP4F2CYP4A11LTA4H | |
| SCHEMBL11396997 | 0.71 | ALDH1A1 (0.45) | CYP3A4CYP2D6CYP2C19KMT2AALDH1A1 | |
| SCHEMBL11095337 | 0.71 | KMT2A (0.41) | CYP3A4CYP2D6CYP2C19KMT2AALDH1A1 | |
| SCHEMBL11094819 | 0.70 | ALDH1A1 (0.44) | CYP3A4CYP2D6CYP2C19KMT2AALDH1A1 | |
| SCHEMBL11093116 | 0.69 | ALDH1A1 (0.43) | CYP3A4CYP2D6CYP2C19KMT2AALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4486443-A | PROSTAGLANDIN-LIKE EFFECTS | BURROUGHS WELLCOME CO. (US) | 1984-12-04 | — | — | US | disclosed |
| EP-0001238-B1 | HYDANTOIN DERIVATIVES, THEIR SYNTHESIS, PHARMACEUTICAL FORMULATIONS AND INTERMEDIATES IN THEIR PREPARATION | THE WELLCOME FOUNDATION LIMITED (GB) | 1984-07-04 | — | — | EP | disclosed |
| US-4262128-A | HAVING PROSTAGLANDIN-LIKE BIOLOGICAL PROPERTIES | BURROUGHS WELLCOME CO. (US) | 1981-04-14 | — | — | US | disclosed |
| US-4204068-A | Nitrogen heterocycles | BURROUGHS WELLCOME CO. (US) | 1980-05-20 | — | — | US | disclosed |
| EP-0001238-A1 | Hydantoin derivatives, their synthesis, pharmaceutical formulations and intermediates in their preparation | THE WELLCOME FOUNDATION LIMITED (GB) | 1979-04-04 | — | — | EP | disclosed |