Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MARS2 | Q96GW9 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9068786 | 0.82 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TSHRMAPTCYP1A2 | |
| SCHEMBL11429229 | 0.82 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TSHRMAPTCYP1A2 | |
| SCHEMBL7017234 | 0.82 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TSHRMAPTCYP1A2 | |
| SCHEMBL5842043 | 0.82 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TSHRMAPTCYP1A2 | |
| SCHEMBL18138449 | 0.79 | ALDH1A1 (0.53) | ALDH1A1CYP3A4TSHRMAPTCYP1A2 | |
| SCHEMBL678482 | 0.78 | HSD17B10 (0.52) | ALDH1A1CYP3A4TSHRMAPTCYP1A2 | |
| SCHEMBL18293567 | 0.78 | ALDH1A1 (0.58) | ALDH1A1CYP3A4TSHRMAPTCYP1A2 | |
| SCHEMBL29013795 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TSHRMAPTCYP1A2 | |
| SCHEMBL678502 | 0.78 | HSD17B10 (0.52) | ALDH1A1CYP3A4TSHRMAPTCYP1A2 | |
| SCHEMBL6823057 | 0.78 | ALDH1A1 (0.48) | ALDH1A1CYP3A4TSHRMAPTCYP1A2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107011332-A | It is used as the pyrazole compound of CRTH2 antagonists | 艾克提麦斯医药品有限公司 | 2017-08-04 | — | — | CN | disclosed |
| CN-104341316-B | Aryl amide derivative of one class two and preparation method thereof, pharmaceutical composition and purposes | 中国科学院上海药物研究所 | 2017-07-28 | — | — | CN | disclosed |
| CN-104961732-B | It is used as the pyrazole compound of CRTH2 antagonists | 艾克提麦斯医药品有限公司 | 2017-07-11 | — | — | CN | disclosed |
| CN-104628705-B | Pyrazole compounds as CRTH2 antagonists | 勃林格殷格翰国际有限公司 | 2017-04-12 | — | — | CN | disclosed |
| EP-0034945-B1 | N-PHENYLPYRAZOLE DERIVATIVES | MAY & BAKER LIMITED (GB) | 1985-08-07 | — | — | EP | disclosed |
| US-4496390-A | WEED-CONTRTOLLING HERBICIDES | MAY & BAKER LIMITED (GB) | 1985-01-29 | — | — | US | disclosed |
| EP-0034945-A2 | N-phenylpyrazole derivatives | MAY & BAKER LIMITED (GB) | 1981-09-02 | — | — | EP | disclosed |