Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.51 |
| ▸ | GABRA1 | P14867 | 7/20 | 0.47 |
| ▸ | GABRB2 | P47870 | 7/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.47 |
| ▸ | CNR2 | P34972 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | PPARD | Q03181 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5879482 | 0.84 | CYP3A4 (0.50) | CYP3A4ALOX15GABRA1GABRB2ALOX5 | |
| SCHEMBL770139 | 0.84 | ALDH1A1 (0.50) | CYP3A4ALOX15GABRA1GABRB2ALOX5 | |
| SCHEMBL44672 | 0.80 | GABRA1 (0.48) | CYP3A4ALOX15GABRA1GABRB2ALOX5 | |
| SCHEMBL241384 | 0.79 | CYP3A4 (0.46) | CYP3A4ALOX15GABRA1GABRB2ALOX5 | |
| SCHEMBL3547696 | 0.78 | CYP3A4 (0.45) | CYP3A4ALOX15GABRA1GABRB2ALOX5 | |
| SCHEMBL7494750 | 0.78 | CYP3A4 (0.49) | CYP3A4ALOX15GABRA1GABRB2ALOX5 | |
| SCHEMBL29352981 | 0.77 | CYP3A4 (0.60) | CYP3A4ALOX15GABRA1GABRB2ALOX5 | |
| SCHEMBL22501536 | 0.77 | CYP3A4 (0.60) | CYP3A4ALOX15GABRA1GABRB2ALOX5 | |
| SCHEMBL9701610 | 0.77 | CYP3A4 (0.44) | CYP3A4ALOX15ALOX5ALDH1A1PTGS1 | |
| SCHEMBL11366349 | 0.77 | MAPT (0.59) | CYP3A4ALOX15GABRA1GABRB2ALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| US-5877214-A | Polyaryl-poly(ethylene glycol) supports for solution-phase combinatorial synthesis | MERCK & CO., INC. (US) | 1999-03-02 | — | — | US | disclosed |