Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 6/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | PGR | P06401 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | AADAC | P22760 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12000935 | 0.86 | SMN1; SMN2 (0.44) | CYP3A4ALOX15TSHRALDH1A1CYP1A2 | |
| SCHEMBL10289752 | 0.81 | LMNA (0.41) | ARCYP3A4ALOX15TSHRALDH1A1 | |
| SCHEMBL12000936 | 0.80 | SNCA (0.43) | CYP3A4ALOX15TSHRALDH1A1LMNA | |
| SCHEMBL10290570 | 0.80 | TDP1 (0.41) | CYP3A4ALOX15TSHRALDH1A1LMNA | |
| SCHEMBL7613706 | 0.77 | SMN1; SMN2 (0.44) | CYP3A4ALOX15TSHRALDH1A1LMNA | |
| SCHEMBL14210874 | 0.76 | SMN1; SMN2 (0.46) | ARCYP3A4ALOX15TSHRALDH1A1 | |
| SCHEMBL10289750 | 0.76 | ALDH1A1 (0.40) | CYP3A4ALOX15TSHRALDH1A1CYP1A2 | |
| SCHEMBL10290589 | 0.76 | MAPT (0.40) | ARCYP3A4ALDH1A1LMNACYP1A2 | |
| SCHEMBL3985668 | 0.76 | CA12 (0.43) | ARCYP3A4ALOX15TSHRALDH1A1 | |
| SCHEMBL19030758 | 0.75 | AR (0.40) | ARCYP3A4ALOX15TSHRALDH1A1 |
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-2502902-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-09-26 | — | — | EP | disclosed |