Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | AGPAT2 | O15120 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 4/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.32 |
| ▸ | FEN1 | P39748 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5751352 | 0.99 | HTR1B (0.45) | HTR1BHTR2BGPR65KDM4EHSD17B10 | |
| SCHEMBL5748096 | 0.86 | HTR1B (0.61) | HTR1BHTR2BGPR65KDM4EHSD17B10 | |
| Hydrochloric Acid SCHEMBL5749534 | 0.85 | HTR1B (0.60) | HTR1BHTR2BGPR65KDM4EHSD17B10 | |
| SCHEMBL5750094 | 0.77 | HTR1B (0.63) | HTR1BHTR2BGPR65KDM4EHSD17B10 | |
| Hydrochloric Acid SCHEMBL5747517 | 0.76 | HTR1B (0.74) | HTR1BHTR2BGPR65KDM4EAGPAT2 | |
| Hydrochloric Acid SCHEMBL5748116 | 0.76 | HTR1B (0.61) | HTR1BHTR2BGPR65KDM4EHSD17B10 | |
| SCHEMBL5747580 | 0.75 | HTR1B (0.60) | HTR1BHTR2BGPR65KDM4EHSD17B10 | |
| SCHEMBL5749623 | 0.74 | HTR1B (0.78) | HTR1BHTR2BGPR65KDM4EAGPAT2 | |
| Hydrochloric Acid SCHEMBL8330669 | 0.73 | HTR1B (0.54) | HTR1BHTR2BGPR65AGPAT2HSP90AA1 | |
| SCHEMBL7074152 | 0.71 | HSP90AA1 (0.54) | HTR1BHTR2BGPR65KDM4EHSD17B10 |
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 7 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-0901474-B1 | ARYL PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-04-19 | — | — | EP | disclosed |
| EP-0901474-A1 | ARYL PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1999-03-17 | — | — | EP | disclosed |
| WO-1997044326-A1 | ARYL PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-11-27 | — | — | WO | disclosed |