Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 1.00 |
| ▸ | PPARG | P37231 | 2/20 | 0.59 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | GRM2 | Q14416 | 7/20 | 0.43 |
| ▸ | PRKCA | P17252 | 4/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL111041 | 1.00 | CYP1A2 (1.00) | CYP1A2PPARGEPHX1ALDH1A1GRM2 | |
| SCHEMBL7059195 | 1.00 | CYP1A2 (1.00) | CYP1A2PPARGEPHX1ALDH1A1GRM2 | |
| SCHEMBL333202 | 1.00 | CYP1A2 (1.00) | CYP1A2PPARGEPHX1ALDH1A1GRM2 | |
| SCHEMBL113498 | 1.00 | CYP1A2 (1.00) | CYP1A2PPARGEPHX1ALDH1A1GRM2 | |
| SCHEMBL3661965 | 1.00 | CYP1A2 (1.00) | CYP1A2PPARGEPHX1ALDH1A1GRM2 | |
| SCHEMBL7059128 | 1.00 | CYP1A2 (1.00) | CYP1A2PPARGEPHX1ALDH1A1GRM2 | |
| SCHEMBL2077607 | 1.00 | CYP1A2 (1.00) | CYP1A2PPARGEPHX1ALDH1A1GRM2 | |
| SCHEMBL7054931 | 1.00 | CYP1A2 (1.00) | CYP1A2PPARGEPHX1ALDH1A1GRM2 | |
| SCHEMBL17627672 | 1.00 | CYP1A2 (1.00) | CYP1A2PPARGEPHX1ALDH1A1GRM2 | |
| SCHEMBL113200 | 1.00 | CYP1A2 (1.00) | CYP1A2PPARGEPHX1ALDH1A1GRM2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0989970-A1 | FRAGRANCE PRECURSOR COMPOUNDS | GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) | 2000-04-05 | — | — | EP | disclosed |
| WO-1998058899-A1 | FRAGRANCE PRECURSOR COMPOUNDS | GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) | 1998-12-30 | — | — | WO | disclosed |