Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PPARD | Q03181 | 9/20 | 0.35 |
| ▸ | VDR | P11473 | 6/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.33 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.33 |
| ▸ | MAPK6 | Q16659 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5314525 | 0.87 | MAPK1 (0.34) | PPARDVDRFFAR1MAPK1MAP2K4 | |
| SCHEMBL5430240 | 0.76 | SMN1; SMN2 (0.42) | ALDH1A1 | |
| SCHEMBL5314312 | 0.76 | PPARD (0.34) | PPARDVDRFFAR1MAPK1MAP2K4 | |
| SCHEMBL8470319 | 0.74 | SMN1; SMN2 (0.35) | ALDH1A1MAPK1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8470520 | 0.72 | CYP1A2 (0.39) | ALDH1A1MAPK1MAP2K4MAPKAPK2MAPK6 | |
| SCHEMBL4425538 | 0.72 | PPARD (0.53) | ALDH1A1PPARDVDRFFAR1PTGS1 | |
| SCHEMBL5493286 | 0.71 | KDM4E (0.41) | ALDH1A1MAPK1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8329288 | 0.69 | PDE5A (0.40) | ALDH1A1MAPK1MAP2K4MAPKAPK2MAPK6 | |
| SCHEMBL7497118 | 0.69 | SMN1; SMN2 (0.48) | ALDH1A1MAPK1MAP2K4MAPK6 | |
| SCHEMBL4424864 | 0.68 | F2RL3 (0.52) | ALDH1A1MAPK1CYP1A2CYP3A4CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007065010-A2 | ANTI-ANGIOGENESIS COMPOUNDS | HIF BIO, INC. (US) | 2007-06-07 | — | — | WO | disclosed |
| EP-0934311-A2 | NEW HETEROCYCLYLMETHYL-SUBSTITUTED PYRAZOL DERIVATES | BAYER AG (DE) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998016507-A2 | NEW HETEROCYCLYLMETHYL-SUBSTITUTED PYRAZOL DERIVATES AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES | BAYER AKTIENGESELLSCHAFT (DE) | 1998-04-23 | — | — | WO | disclosed |