Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 3/20 | 0.40 |
| ▸ | DRD2 | P14416 | 3/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 5/20 | 0.38 |
| ▸ | CASP1 | P29466 | 2/20 | 0.37 |
| ▸ | CASP7 | P55210 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9900964 | 0.85 | ALDH1A1 (0.43) | CYP1A2ALDH1A1CYP3A4CYP2C19TSHR | |
| SCHEMBL9901300 | 0.82 | ALDH1A1 (0.48) | CYP1A2ALDH1A1CYP3A4CYP2C19TSHR | |
| SCHEMBL11604390 | 0.79 | PIN1 (0.47) | CYP1A2ALDH1A1CYP3A4CYP2C19TSHR | |
| SCHEMBL9901124 | 0.77 | ABCB1 (0.46) | CYP1A2ALDH1A1CYP3A4CYP2C19TSHR | |
| SCHEMBL9923434 | 0.77 | SCN9A (0.39) | CYP1A2ALDH1A1CYP3A4CYP2C19TSHR | |
| SCHEMBL9900791 | 0.76 | ALDH1A1 (0.41) | CYP1A2ALDH1A1CYP3A4CYP2C19TSHR | |
| SCHEMBL9904719 | 0.75 | FFAR1 (0.42) | CYP1A2ALDH1A1CYP3A4CYP2C19TSHR | |
| SCHEMBL9904669 | 0.75 | CYP11B1 (0.43) | CYP1A2ALDH1A1CYP3A4CYP2C19TSHR | |
| SCHEMBL9904793 | 0.74 | LIPE (0.51) | CYP3A4CYP2C19MAPK1CYP2C9 | |
| SCHEMBL9901038 | 0.74 | ALDH1A1 (0.36) | CYP1A2ALDH1A1CYP3A4CYP2C19TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2649050-A1 | COMPOUNDS | Glaxo Group Limited (GB) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012075917-A1 | COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2012-06-14 | — | — | WO | disclosed |