Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.46 |
| ▸ | FAAH | O00519 | 17/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1011291 | 0.92 | CYP3A4 (0.44) | CYP3A4CYP2D6FAAHGABRA1ADRA2C | |
| Butane SCHEMBL1013652 | 0.90 | CYP3A4 (0.47) | CYP3A4CYP2D6FAAHGABRA1ADRA2C | |
| SCHEMBL1011480 | 0.88 | CYP3A4 (0.41) | CYP3A4CYP2D6FAAHGABRA1ADRA2C | |
| SCHEMBL1012006 | 0.87 | CYP3A4 (0.56) | CYP3A4CYP2D6FAAHGABRA1ADRA2C | |
| SCHEMBL1011350 | 0.85 | CYP3A4 (0.37) | CYP3A4CYP2D6FAAHGABRA1ADRA2C | |
| Butane SCHEMBL1011290 | 0.81 | CYP3A4 (0.44) | CYP3A4CYP2D6FAAHGABRA1ADRA2C | |
| SCHEMBL1011533 | 0.81 | MAPK1 (0.42) | — | |
| SCHEMBL1012957 | 0.81 | CYP3A4 (0.44) | CYP3A4CYP2D6FAAHGABRA1ADRA2C | |
| SCHEMBL1009467 | 0.81 | CYP3A4 (0.52) | CYP3A4CYP2D6FAAHGABRA1ADRA2C | |
| Butane SCHEMBL1011479 | 0.78 | CYP3A4 (0.41) | CYP3A4CYP2D6FAAHGABRA1ADRA2C |
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-2076508-B1 | BIARYL ETHER UREA COMPOUNDS | PFIZER PROD INC (US) | 2011-01-05 | — | — | EP | disclosed |