Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 2/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | PRKACA | P17612 | 3/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9167960 | 0.93 | KDR (0.36) | KDRCYP11B1CYP11B2ALDH1A1MEN1 | |
| SCHEMBL9174113 | 0.91 | CYP11B1 (0.41) | KDRCYP11B1CYP11B2ALDH1A1MEN1 | |
| SCHEMBL9166631 | 0.89 | NPC1 (0.36) | CYP11B1CYP11B2ALDH1A1MEN1KMT2A | |
| SCHEMBL9169535 | 0.88 | HSD17B1 (0.39) | DHFRKDRCYP3A4MEN1KMT2A | |
| SCHEMBL9170467 | 0.85 | KDR (0.46) | KDRCYP3A4ALDH1A1MEN1KMT2A | |
| SCHEMBL9170993 | 0.84 | GAK (0.35) | KDRLTA4HALDH1A1MEN1KMT2A | |
| SCHEMBL9171199 | 0.84 | HSD17B1 (0.38) | KDRCYP3A4MEN1KMT2AMAPT | |
| SCHEMBL9172217 | 0.82 | NPC1 (0.36) | KDRALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL9172004 | 0.82 | DHFR (0.41) | DHFRKDRCYP11B1CYP11B2GAA | |
| SCHEMBL9170564 | 0.82 | NPC1 (0.41) | KDRALDH1A1MEN1KMT2AMAPT |
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 |