Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 5/20 | 0.45 |
| ▸ | HTR2C | P28335 | 5/20 | 0.45 |
| ▸ | HTR2B | P41595 | 4/20 | 0.45 |
| ▸ | KMO | O15229 | 6/20 | 0.44 |
| ▸ | QPCT | Q16769 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | PDE1A | P54750 | 1/20 | 0.38 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.38 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.38 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | MET | P08581 | 1/20 | 0.36 |
| ▸ | CACNA1H | O95180 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6746000 | 0.86 | HRH3 (0.40) | HTR2AHTR2CHTR2BKMOQPCT | |
| SCHEMBL13548299 | 0.85 | CTNNB1 (0.47) | PDE1CCYP1A2CACNA1HCNR1CNR2 | |
| SCHEMBL6741339 | 0.84 | HRH3 (0.50) | CYP1A2POLBRECQLHSD17B10L3MBTL1 | |
| SCHEMBL6744654 | 0.81 | QPCT (0.38) | HTR2AHTR2CHTR2BKMOQPCT | |
| SCHEMBL6740873 | 0.81 | KMO (0.39) | HTR2AHTR2CHTR2BKMOQPCT | |
| SCHEMBL6739781 | 0.81 | KMO (0.56) | HTR2AHTR2CHTR2BKMOQPCT | |
| SCHEMBL6741094 | 0.79 | BRD4 (0.38) | HTR2AHTR2CHTR2BKMOQPCT | |
| SCHEMBL8430529 | 0.79 | KMO (0.64) | HTR2AHTR2CHTR2BKMOHTR1A | |
| SCHEMBL20769975 | 0.79 | HTR2A (0.50) | HTR2AHTR2CHTR2BKMOHTR1A | |
| SCHEMBL14155061 | 0.79 | HTR2A (0.61) | HTR2AHTR2CHTR2BKMOQPCT |
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-2970211-B1 | HISTONE DEMETHYLASE INHIBITORS | QUANTICEL PHARMACEUTICALS INC (US) | 2017-07-26 | — | — | EP | disclosed |