Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 2/20 | 0.30 |
| ▸ | CES1 | P23141 | 2/20 | 0.30 |
| ▸ | MPO | P05164 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | TRPM8 | Q7Z2W7 | 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 | |
|---|---|---|---|---|
| SCHEMBL5747398 | 0.83 | CES2 (0.34) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL249073 | 0.73 | CYP1A2 (0.31) | — | |
| SCHEMBL27563254 | 0.71 | — | — | |
| SCHEMBL1448537 | 0.68 | DAO (0.30) | DAO | |
| SCHEMBL5661873 | 0.67 | LOXL2 (0.34) | — | |
| SCHEMBL20356017 | 0.66 | CA3 (0.48) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL7040909 | 0.65 | — | — | |
| SCHEMBL643603 | 0.65 | CYP1A2 (0.48) | ALDH1A1 | |
| SCHEMBL5660069 | 0.63 | KCNQ3 (0.34) | — | |
| SCHEMBL16585570 | 0.63 | CYP1A2 (0.35) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0901474-B1 | ARYL PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-04-19 | — | — | EP | claimed |
| EP-0901474-A1 | ARYL PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1999-03-17 | — | — | EP | claimed |
| US-5863924-A | Aryl pyrimidine derivatives | SYNTEX (U.S.A.) INC. (US) | 1999-01-26 | — | — | US | claimed |
| WO-1997044326-A1 | ARYL PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-11-27 | — | — | WO | claimed |
| EP-1155698-A1 | ORGANOBORON COMPOUNDS EXHIBITING ANTICOCCIDIAL ACTIVITIES | Nitto Kasei Co., Ltd. (JP) | 2001-11-21 | — | — | EP | disclosed |