Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | HTR2B | P41595 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | HMGCR | P04035 | 1/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARD | Q03181 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.35 |
| ▸ | TUBB | P07437 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6931161 | 0.87 | PDE3B (0.41) | ALDH1A1CYP3A4HTR2AHTR2CHTR2B | |
| SCHEMBL8702072 | 0.79 | PPARG (0.49) | ALDH1A1CYP3A4HTR2APTGS2PPARG | |
| SCHEMBL8699353 | 0.77 | ERN1 (0.47) | ALDH1A1SMN1; SMN2POLB | |
| SCHEMBL29694978 | 0.77 | ERN1 (0.47) | ALDH1A1CYP3A4SMN1; SMN2MAPK1 | |
| SCHEMBL8704552 | 0.76 | ALDH1A1 (0.39) | ALDH1A1CYP3A4HTR2AHMGCRPPARG | |
| SCHEMBL23122028 | 0.76 | ERN1 (0.49) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL4631891 | 0.76 | GAA (0.42) | ALDH1A1POLBMAPK1 | |
| SCHEMBL8699838 | 0.74 | PPARG (0.40) | ALDH1A1CYP3A4SMN1; SMN2NPC1RAB9A | |
| SCHEMBL8699843 | 0.74 | PPARG (0.40) | ALDH1A1CYP3A4SMN1; SMN2NPC1RAB9A | |
| SCHEMBL2500546 | 0.72 | PTGS2 (0.68) | ALDH1A1CYP3A4HTR2AHTR2CHTR2B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998008837-A1 | PHENYLBUTANOL DERIVATIVES, METHODS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF | FARMACON, INC. (US) | 1998-03-05 | — | — | WO | disclosed |