Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | CYP1A1 | P04798 | 6/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 4/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP4B1 | P13584 | 2/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.36 |
| ▸ | CYP3A5 | P20815 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11403757 | 0.77 | ALDH1A1 (0.59) | ALDH1A1CYP1A1CYP1B1CYP3A4CA2 | |
| SCHEMBL1402759 | 0.76 | ALDH1A1 (0.79) | ALDH1A1CYP1A1CYP1B1CYP3A4CA2 | |
| SCHEMBL9172372 | 0.75 | NQO1 (0.44) | ALDH1A1CYP3A4CA2CA1CA12 | |
| SCHEMBL1119927 | 0.74 | CA2 (0.56) | ALDH1A1CYP1A1CYP1B1CYP3A4CA2 | |
| SCHEMBL4297601 | 0.74 | ALDH1A1 (0.56) | ALDH1A1CYP1A1CYP1B1CYP3A4CA2 | |
| SCHEMBL1402593 | 0.72 | ALDH1A1 (0.53) | ALDH1A1CYP1A1CYP1B1CYP3A4CA2 | |
| SCHEMBL9173997 | 0.72 | ALDH1A1 (0.53) | ALDH1A1CYP1A1CYP1B1CYP3A4CA2 | |
| SCHEMBL21526735 | 0.72 | ALDH1A1 (0.53) | ALDH1A1CYP1A1CYP1B1CYP3A4CA2 | |
| SCHEMBL6028138 | 0.72 | ALDH1A1 (0.53) | ALDH1A1CYP1A1CYP1B1CYP3A4CA2 | |
| SCHEMBL666672 | 0.72 | ALDH1A1 (0.53) | ALDH1A1CYP1A1CYP1B1CYP3A4CA2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |