Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | SCN1A | P35498 | 2/20 | 0.32 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.32 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | THPO | P40225 | 1/20 | 0.30 |
| ▸ | STAT6 | P42226 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | GMNN | O75496 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MTOR | P42345 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | PMP22 | Q01453 | 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 | |
|---|---|---|---|---|
| SCHEMBL3670104 | 0.81 | — | — | |
| SCHEMBL11567957 | 0.81 | SLC1A2 (0.32) | FFAR3SCN1ASCN2ASCN3A | |
| SCHEMBL11085265 | 0.81 | SLC1A2 (0.32) | FFAR3SCN1ASCN2ASCN3A | |
| SCHEMBL3267324 | 0.79 | SCN1A (0.30) | CYP2C19FFAR3SCN1ASCN2ASCN3A | |
| Hydrochloric Acid SCHEMBL4398568 | 0.79 | — | — | |
| SCHEMBL11692287 | 0.78 | OPRL1 (0.32) | — | |
| SCHEMBL20483727 | 0.78 | EPHX1 (0.33) | CYP2C19CYP2C9CYP1A2LMNA | |
| SCHEMBL12986569 | 0.77 | CYP19A1 (0.41) | CYP2C19FFAR3SCN1ASCN2ASCN3A | |
| SCHEMBL13713816 | 0.76 | ALDH1A1 (0.35) | ALOX15 | |
| SCHEMBL14519268 | 0.76 | — | — |
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-0673408-B1 | DIMETHYL-CYCLOHEXANECARBOXYLIC ACID ESTERS IN PERFUMERY | QUEST INT (NL) | 1996-07-24 | — | — | EP | claimed |