Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 8/20 | 0.65 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | AR | P10275 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL27295229 | 0.89 | ESR1 (0.51) | ESR1ESR2TDP1CYP2C9ALOX15 | |
| SCHEMBL984302 | 0.87 | ESR1 (0.74) | ESR1ESR2TDP1CYP2C9ALOX15 | |
| SCHEMBL15427906 | 0.83 | ESR1 (0.69) | ESR1ESR2TDP1CYP2C9ALOX15 | |
| SCHEMBL27688770 | 0.80 | ESR1 (0.42) | ESR1ESR2MAPTSLC6A2SLC6A3 | |
| SCHEMBL10770681 | 0.80 | ESR1 (0.65) | ESR1ESR2TDP1CYP2C9ALOX15 | |
| SCHEMBL24511029 | 0.80 | ESR1 (0.65) | ESR1ESR2TDP1CYP2C9ALOX15 | |
| SCHEMBL1851402 | 0.80 | ESR1 (0.65) | ESR1ESR2TDP1CYP2C9ALOX15 | |
| SCHEMBL536776 | 0.79 | AOC3 (0.43) | ESR1ESR2LMNAOPRM1TAAR1 | |
| SCHEMBL12459758 | 0.78 | ESR1 (0.62) | ESR1ESR2TDP1CYP2C9ALOX15 | |
| SCHEMBL22431936 | 0.78 | ESR1 (0.62) | ESR1ESR2TDP1CYP2C9ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1030768-C | Primidine derivatives, process for preparing same and inhibitor for androgen | OTSUKA PHARMA CO LTD (JP) | 1996-01-24 | — | — | CN | disclosed |
| US-5420128-A | Pyrimidine derivatives, method of manufacturing the same, and androgen inhibitor | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-05-30 | — | — | US | disclosed |
| EP-0503099-A1 | PYRIMIDINE DERIVATIVE, PRODUCTION THEREOF, AND ANDROGEN INHIBITOR | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1992-09-16 | — | — | EP | disclosed |
| CN-1060844-A | Pyrimidine derivatives, its method for making and inhibitor for androgen | OTSUKA PHARMA CO LTD (JP) | 1992-05-06 | — | — | CN | disclosed |