Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STING1 | Q86WV6 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 8/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 8/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.32 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7934456 | 0.81 | CYP1A2 (0.45) | STING1CYP1A2CYP1A1CYP1B1ALDH1A1 | |
| SCHEMBL13639118 | 0.80 | CYP1A1 (0.42) | CYP1A2CYP1A1CYP1B1ALDH1A1TRPA1 | |
| SCHEMBL7928059 | 0.80 | NQO1 (0.50) | STING1CYP1A2CYP1A1CYP1B1ALDH1A1 | |
| SCHEMBL2044950 | 0.80 | KDM4E (0.40) | STING1CYP1A2CYP1A1CYP1B1ALDH1A1 | |
| SCHEMBL7925139 | 0.73 | — | — | |
| SCHEMBL15899630 | 0.73 | ALDH1A1 (0.52) | STING1CYP1A2CYP1A1CYP1B1ALDH1A1 | |
| SCHEMBL79099 | 0.70 | MAPT (0.43) | STING1CYP1A2CYP1A1CYP1B1CDK5 | |
| SCHEMBL5603597 | 0.69 | ALDH1A1 (0.60) | STING1CYP1A2CYP1A1CYP1B1ALDH1A1 | |
| SCHEMBL14733963 | 0.68 | KDM4E (0.49) | ALDH1A1KDM4EMEN1HPGDKMT2A | |
| SCHEMBL10094235 | 0.68 | CYP2A6 (0.60) | CYP1A2CYP3A4CYP2A6CYP2C9KDM4E |
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-2331552-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2013-02-27 | — | — | EP | disclosed |