Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.46 |
| ▸ | CNR2 | P34972 | 2/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | VNN1 | O95497 | 4/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9831962 | 0.82 | PARP1 (0.47) | CES2MEN1ALDH1A1KMT2ACCNA2 | |
| SCHEMBL30877071 | 0.82 | CES2 (0.41) | CES2MEN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL30877077 | 0.82 | CES2 (0.41) | CES2MEN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL9832118 | 0.79 | POLB (0.51) | ALDH1A1MAPTKMT2ANPSR1VNN1 | |
| SCHEMBL3982930 | 0.78 | MAPT (0.52) | MEN1ALDH1A1MAPTADORA1KMT2A | |
| SCHEMBL5347968 | 0.76 | PTGS1 (0.59) | SRD5A2CES2MEN1ALDH1A1CYP1A2 | |
| SCHEMBL1237189 | 0.75 | SRD5A2 (0.79) | SRD5A2CES2MEN1ALDH1A1CYP1A2 | |
| SCHEMBL2079912 | 0.73 | VNN1 (0.51) | SRD5A2CES2MEN1ALDH1A1CYP1A2 | |
| SCHEMBL4710822 | 0.73 | MEN1 (0.54) | SRD5A2CES2MEN1ALDH1A1CYP1A2 | |
| SCHEMBL15608381 | 0.72 | MEN1 (0.56) | SRD5A2CES2MEN1ALDH1A1CYP1A2 |
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-0129846-B1 | (3-AMINO-1H-PYRAZOL-4-YL)(ARYL)METHANONES | AMERICAN CYANAMID COMPANY (US) | 1991-05-08 | — | — | EP | claimed |
| EP-0129846-A2 | (3-Amino-1H-pyrazol-4-yl)(aryl)methanones | AMERICAN CYANAMID COMPANY (US) | 1985-01-02 | — | — | EP | claimed |