Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH2 | P25021 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | LTB4R2 | Q9NPC1 | 4/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | BCL2 | P10415 | 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 | |
|---|---|---|---|---|
| SCHEMBL9525532 | 1.00 | HRH2 (0.40) | HRH2HRH1CYP1A2CYP3A4L3MBTL1 | |
| SCHEMBL7815803 | 0.83 | MME (0.40) | L3MBTL1ALDH1A1ACHELTB4R2GAA | |
| SCHEMBL7815799 | 0.83 | MME (0.40) | L3MBTL1ALDH1A1ACHELTB4R2GAA | |
| SCHEMBL9527156 | 0.80 | MMP3 (0.43) | — | |
| SCHEMBL9527153 | 0.80 | MMP3 (0.43) | — | |
| SCHEMBL9149746 | 0.76 | ALDH1A1 (0.39) | HRH2HRH1ALDH1A1MEN1KMT2A | |
| SCHEMBL9753986 | 0.73 | MME (0.44) | ACHELTB4R2 | |
| SCHEMBL9753984 | 0.73 | MME (0.44) | ACHELTB4R2 | |
| SCHEMBL8724087 | 0.72 | GAA (0.38) | ALDH1A1MEN1KMT2AGAARAB9A | |
| SCHEMBL9540659 | 0.70 | ALDH1A1 (0.40) | HRH2HRH1ALDH1A1MEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0523141-A4 | SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES | — | 1993-04-21 | — | — | EP | disclosed |
| EP-0523141-A1 | SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES | MERCK & CO. INC. (US) | 1993-01-20 | — | — | EP | disclosed |
| WO-1991015479-A1 | SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES | MERCK & CO., INC. (US) | 1991-10-17 | — | — | WO | disclosed |