Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.35 |
| ▸ | SCN4A | P35499 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | SCN1A | P35498 | 2/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8093986 | 0.83 | CYP2A6 (0.47) | CYP1A2CYP2A6TSHRACHEALDH1A1 | |
| SCHEMBL8096178 | 0.80 | CYP2A6 (0.45) | CYP1A2CYP2A6TSHRACHEALDH1A1 | |
| SCHEMBL8095408 | 0.80 | CYP2A6 (0.45) | CYP1A2CYP2A6TSHRACHEALDH1A1 | |
| SCHEMBL8097074 | 0.78 | CYP2A6 (0.43) | CYP1A2CYP2A6TSHRACHEALDH1A1 | |
| SCHEMBL8101082 | 0.78 | CYP2A6 (0.43) | CYP1A2CYP2A6TSHRACHEALDH1A1 | |
| SCHEMBL8093953 | 0.78 | CYP2A6 (0.43) | CYP1A2CYP2A6TSHRACHEALDH1A1 | |
| SCHEMBL8097070 | 0.78 | CYP2A6 (0.43) | CYP1A2CYP2A6TSHRACHEALDH1A1 | |
| SCHEMBL5346547 | 0.78 | CA1 (0.48) | CYP1A2CYP2A6TSHRACHEALDH1A1 | |
| SCHEMBL8087584 | 0.78 | CYP2A6 (0.43) | CYP1A2CYP2A6TSHRACHEALDH1A1 | |
| SCHEMBL8086577 | 0.78 | CYP2A6 (0.43) | CYP1A2CYP2A6TSHRACHEALDH1A1 |
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 |