Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.44 |
| ▸ | HTR2C | P28335 | 3/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 8/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | KCNA2 | P16389 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1901526 | 0.85 | TRPA1 (0.54) | HTR2AHTR2CTRPA1DRD1 | |
| SCHEMBL13409383 | 0.82 | TRPA1 (0.40) | HTR2AHTR2CTRPA1DRD1HTR2B | |
| SCHEMBL8276163 | 0.77 | HTR2C (0.40) | HTR2AHTR2CTRPA1DRD1CYP2A6 | |
| SCHEMBL8271691 | 0.75 | TRPA1 (0.41) | TRPA1DRD1KDM4EALDH1A1CYP3A4 | |
| SCHEMBL15465932 | 0.74 | PAX8 (0.45) | HTR2AHTR2CKDM4EALDH1A1CYP3A4 | |
| SCHEMBL12278144 | 0.74 | PAX8 (0.45) | HTR2AHTR2CKDM4EALDH1A1CYP3A4 | |
| SCHEMBL17426271 | 0.74 | PAX8 (0.45) | HTR2AHTR2CKDM4EALDH1A1CYP3A4 | |
| SCHEMBL8272979 | 0.72 | HTR2C (0.38) | HTR2AHTR2CTRPA1DRD1MAOA | |
| SCHEMBL8277931 | 0.72 | HTR2C (0.45) | HTR2AHTR2CTRPA1DRD1MAOA | |
| SCHEMBL24469185 | 0.70 | CYP1A2 (0.46) | KDM4EALDH1A1CYP2C19CYP1A2CYP2A6 |
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-2340830-A2 | Hepatitis C Virus Inhibitors | Bristol-Myers Squibb Company (US) | 2011-07-06 | — | — | EP | disclosed |