Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | HPGD | P15428 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | NQO2 | P16083 | 3/20 | 0.48 |
| ▸ | GFER | P55789 | 1/20 | 0.48 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12477624 | 0.85 | ALDH1A1 (0.42) | ALDH1A1HPGDSMN1; SMN2NQO2GFER | |
| SCHEMBL76097 | 0.81 | CYP2E1 (0.58) | ALDH1A1HPGDSMN1; SMN2NQO2GFER | |
| SCHEMBL4340657 | 0.76 | ALDH1A1 (0.61) | ALDH1A1HPGDSMN1; SMN2NQO2GFER | |
| SCHEMBL4344550 | 0.76 | ALDH1A1 (0.61) | ALDH1A1HPGDSMN1; SMN2NQO2GFER | |
| SCHEMBL14179929 | 0.74 | CYP2E1 (0.52) | ALDH1A1HPGDSMN1; SMN2NQO2GFER | |
| SCHEMBL9030874 | 0.73 | SMN1; SMN2 (0.53) | ALDH1A1HPGDSMN1; SMN2NQO2GFER | |
| SCHEMBL24798384 | 0.72 | CYP2E1 (0.56) | ALDH1A1HPGDSMN1; SMN2NQO2GFER | |
| SCHEMBL6964494 | 0.72 | PRKDC (0.49) | ALDH1A1HPGDSMN1; SMN2CYP3A4CYP2D6 | |
| SCHEMBL9208149 | 0.70 | ALDH1A1 (0.69) | ALDH1A1HPGDSMN1; SMN2NQO2GFER | |
| SCHEMBL2199459 | 0.70 | PTGS1 (0.55) | ALDH1A1HPGDSMN1; SMN2NQO2GFER |
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 |
|---|---|---|---|---|---|---|---|
| EP-1874745-B1 | NEW 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR- GAMMA RECEPTOR LIGANDS | ADAMED SP ZOO (PL) | 2009-11-11 | — | — | EP | disclosed |