Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.30 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.30 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.30 |
| ▸ | ERN1 | O75460 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11155603 | 0.77 | CYP3A4 (0.41) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL22653561 | 0.75 | TDP1 (0.45) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL11232970 | 0.73 | TDP1 (0.43) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL11690314 | 0.71 | CYP3A4 (0.41) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL9174943 | 0.71 | ALDH1A1 (0.33) | GABRA1GABRB2AHR | |
| SCHEMBL3095858 | 0.71 | CYP3A4 (0.41) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL1046751 | 0.71 | CYP3A4 (0.41) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL1046753 | 0.71 | CYP3A4 (0.48) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL9169536 | 0.69 | NQO1 (0.41) | CYP3A4TSHRTDP1AHR | |
| SCHEMBL10454321 | 0.69 | TDP1 (0.39) | CYP3A4TSHRTDP1GABRA1GABRB1 |
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 |