Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11035480 | 0.79 | ALDH1A1 (0.36) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL4552605 | 0.76 | ALDH1A1 (0.34) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL11177827 | 0.76 | HTR6 (0.39) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL6541969 | 0.76 | ALDH1A1 (0.33) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL15322808 | 0.76 | ALDH1A1 (0.33) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL20473386 | 0.76 | ALDH1A1 (0.33) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL10965062 | 0.76 | ALDH1A1 (0.33) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL17188010 | 0.76 | ALDH1A1 (0.33) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL5613216 | 0.76 | ALDH1A1 (0.33) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL345741 | 0.76 | ALDH1A1 (0.35) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103025688-A | Fuel composition comprising isoprene derivative | DANISCO US INC | 2013-04-03 | — | — | CN | disclosed |
| CN-101312972-B | Bicyclic cinnamide compound | EISAI R&D MAN CO LTD | 2012-06-20 | — | — | CN | disclosed |
| CN-101312972-A | Bicyclic cinnamide compound | EISAI R&D MAN CO LTD (JP) | 2008-11-26 | — | — | CN | disclosed |