Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.40 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.36 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | HTR1D | P28221 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | HTR7 | P34969 | 2/20 | 0.36 |
| ▸ | HTR2B | P41595 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10098863 | 0.79 | SIGMAR1 (0.53) | CYP1A2CYP2D6CYP2C19CYP2C9CARM1 | |
| SCHEMBL22395226 | 0.78 | CYP1A2 (0.50) | CYP1A2CYP2D6CYP2C19CYP2C9MAPK1 | |
| SCHEMBL19245200 | 0.76 | CARM1 (0.34) | CARM1PRMT6HDAC1 | |
| SCHEMBL12449774 | 0.74 | TRPV4 (0.38) | CYP1A2CYP2D6CYP2C19CYP2C9MAPK1 | |
| SCHEMBL530213 | 0.73 | PNMT (0.48) | MAPK1MAPTPNMTSIGMAR1 | |
| SCHEMBL6418359 | 0.73 | SLC6A4 (0.48) | CYP1A2CYP2D6CYP2C19CYP2C9MAPK1 | |
| SCHEMBL12312596 | 0.72 | CNR2 (0.44) | MAPK1MAPTHDAC1MEN1KMT2A | |
| SCHEMBL7993517 | 0.71 | CXCR4 (0.38) | CYP2D6CYP2C19CYP3A4HDAC1 | |
| SCHEMBL21066511 | 0.71 | PDCD1 (0.46) | CYP1A2CYP2D6CYP2C19CYP2C9MEN1 | |
| SCHEMBL11089154 | 0.70 | CYP1A2 (0.66) | CYP1A2CYP2D6CYP2C19CYP2C9ALOX15 |
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-2173723-B3 | PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS | ARRAY BIOPHARMA INC (US) | 2014-11-19 | — | — | EP | disclosed |