Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.32 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | FABP3 | P05413 | 2/20 | 0.31 |
| ▸ | FABP4 | P15090 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.31 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.31 |
| ▸ | NQO2 | P16083 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL6552398 | 0.82 | GABRA1 (0.33) | GABRA1GABRB2TYR | |
| SCHEMBL21556465 | 0.81 | MAPT (0.44) | PTGS1TYRTRPA1CACNA1CALDH1A1 | |
| SCHEMBL14553634 | 0.79 | HTT (0.45) | PTGS1TYRTRPA1CACNA1CALDH1A1 | |
| SCHEMBL18905528 | 0.70 | ESR1 (0.44) | PTGS1ALDH1A1GAAALOX12HIF1A | |
| SCHEMBL22905509 | 0.68 | CES2 (0.43) | PTGS1TRPA1ALDH1A1HTTNQO2 | |
| Hydrogen Peroxide SCHEMBL3271571 | 0.68 | FABP3 (0.52) | GABRA1GABRB2PTGS1TYRTRPA1 | |
| Hydrogen Peroxide SCHEMBL3267226 | 0.68 | FABP3 (0.52) | GABRA1GABRB2PTGS1TYRTRPA1 | |
| Hydrogen Peroxide SCHEMBL3271546 | 0.68 | FABP3 (0.52) | GABRA1GABRB2PTGS1TYRTRPA1 | |
| Hydrogen Peroxide SCHEMBL11574983 | 0.68 | FABP3 (0.52) | GABRA1GABRB2PTGS1TYRTRPA1 | |
| SCHEMBL338867 | 0.68 | GABRA1 (0.46) | GABRA1GABRB2PTGS1TYRTRPA1 |
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-2001070662-A2 | 2,4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS | ALLERGAN , INC. (US) | 2001-09-27 | — | — | WO | disclosed |