Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FNTA | P49354 | 2/20 | 0.50 |
| ▸ | FNTB | P49356 | 2/20 | 0.50 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | SNCA | P37840 | 1/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.45 |
| ▸ | ICMT | O60725 | 1/20 | 0.44 |
| ▸ | GMNN | O75496 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3961002 | 0.79 | FNTA (0.58) | FNTAFNTBTRPV1MAPTPGR | |
| SCHEMBL586037 | 0.79 | FNTA (0.58) | FNTAFNTBTRPV1MAPTPGR | |
| SCHEMBL586036 | 0.79 | FNTA (0.58) | FNTAFNTBTRPV1MAPTPGR | |
| SCHEMBL21693904 | 0.77 | FNTA (0.50) | FNTAFNTBTRPV1MAPTPGR | |
| SCHEMBL27983309 | 0.75 | CYP2C19 (0.53) | MAPTLMNACYP3A4TSHRHSD17B10 | |
| SCHEMBL22436286 | 0.75 | CYP2C19 (0.53) | MAPTLMNACYP3A4TSHRHSD17B10 | |
| SCHEMBL12143882 | 0.75 | CYP2C19 (0.53) | MAPTLMNACYP3A4TSHRHSD17B10 | |
| SCHEMBL1991957 | 0.74 | FNTA (0.50) | FNTAFNTBTRPV1MAPTPGR | |
| SCHEMBL6445161 | 0.73 | TRPV1 (0.47) | FNTAFNTBTRPV1MAPTPGR | |
| SCHEMBL18759622 | 0.72 | PABPC1 (0.56) | CYP3A4TSHRHSD17B10ALDH1A1PABPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111272906-A | Method for determining flower fragrance components in main stream smoke of cigarette | 中国烟草总公司郑州烟草研究院 | 2020-06-12 | — | — | CN | disclosed |