Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.43 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.43 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20290410 | 0.83 | CACNA2D1 (0.45) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL16572906 | 0.81 | ALDH1A1 (0.32) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL25523057 | 0.79 | CACNA2D1 (0.47) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL19285940 | 0.76 | — | — | |
| SCHEMBL964997 | 0.76 | CACNA2D1 (0.56) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL23906868 | 0.75 | ALDH1A1 (0.42) | ALDH1A1 | |
| SCHEMBL24355379 | 0.72 | ALDH1A1 (0.36) | ALDH1A1TSHRMAPK1CYP1A2CYP3A4 | |
| SCHEMBL905769 | 0.70 | — | — | |
| SCHEMBL8373763 | 0.70 | CYP1A2 (0.31) | CYP1A2CYP3A4CYP2C9HIF1A | |
| SCHEMBL24880069 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009139834-A1 | BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES | PONIARD PHARMACEUTICALS, INC. (US) | 2009-11-19 | — | — | WO | disclosed |