Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | AR | P10275 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.49 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.49 |
| ▸ | AADAC | P22760 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11879435 | 0.83 | ALDH1A1 (0.68) | PDK1CYP1A2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL11307468 | 0.83 | AR (0.56) | PDK1CYP1A2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL11313476 | 0.83 | AR (0.75) | CYP1A2CYP3A4CYP2C9ALDH1A1AR | |
| SCHEMBL11315808 | 0.80 | MAPT (0.48) | PDK1CYP1A2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL11784350 | 0.79 | LMNA (0.47) | PDK1CYP1A2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL11794204 | 0.79 | AR (0.52) | PDK1CYP1A2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL11511392 | 0.79 | ALDH1A1 (0.59) | PDK1CYP1A2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL11786395 | 0.78 | PDK1 (0.54) | PDK1CYP1A2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL11307642 | 0.77 | LMNA (0.50) | PDK1CYP1A2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL11308042 | 0.75 | PDK1 (0.50) | PDK1CYP1A2CYP3A4CYP2C9ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4299845-A | BACTERICIDES, FUNGICIDES | SCHERING CORPORATION (US) | 1981-11-10 | — | — | US | disclosed |