Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.51 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.51 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL358269 | 0.87 | TSHR (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2C8 | |
| SCHEMBL21384785 | 0.85 | TSHR (0.56) | CYP3A4ALDH1A1GAATSHRNFKB1 | |
| SCHEMBL358270 | 0.79 | HSD17B2 (0.54) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2C8 | |
| SCHEMBL3115477 | 0.79 | TRPV1 (0.62) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2C8 | |
| SCHEMBL28546643 | 0.78 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2C8 | |
| SCHEMBL3123447 | 0.78 | TRPV1 (0.67) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2C8 | |
| SCHEMBL27312244 | 0.77 | CYP4F2 (0.44) | CYP3A4ALDH1A1HPGDTSHRTDP1 | |
| SCHEMBL3111764 | 0.77 | TRPV1 (0.69) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2C8 | |
| SCHEMBL5923175 | 0.77 | TRPV1 (0.69) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2C8 | |
| SCHEMBL3114562 | 0.77 | TRPV1 (0.69) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2C8 |
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 |
|---|---|---|---|---|---|---|---|
| US-5137036-A | SMOKING COMPOSITIONS CONTAINING A VANILLIN-RELEASE ADDITIVE | PHILIP MORRIS INCORPORATED (US) | 1992-08-11 | — | — | US | disclosed |
| EP-0470765-A2 | Smoking compositions containing a vanillin-release additive | Philip Morris Products Inc. (US) | 1992-02-12 | — | — | EP | disclosed |