Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.44 |
| ▸ | FAAH | O00519 | 13/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | ACP1 | P24666 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Butane SCHEMBL1012955 | 0.89 | CYP3A4 (0.44) | CYP3A4CYP2D6FAAHGABRA1ADRA2C | |
| SCHEMBL1011947 | 0.85 | FAAH (0.53) | CYP3A4CYP2D6FAAHGABRA1ADRA2C | |
| SCHEMBL1011480 | 0.83 | CYP3A4 (0.41) | CYP3A4CYP2D6FAAHGABRA1ADRA2C | |
| SCHEMBL1011350 | 0.82 | CYP3A4 (0.37) | CYP3A4CYP2D6FAAHGABRA1ADRA2C | |
| SCHEMBL1013653 | 0.81 | CYP3A4 (0.46) | CYP3A4CYP2D6FAAHGABRA1ADRA2C | |
| SCHEMBL1011291 | 0.80 | CYP3A4 (0.44) | CYP3A4CYP2D6FAAHGABRA1ADRA2C | |
| SCHEMBL1011229 | 0.80 | FDFT1 (0.49) | MAPK14 | |
| Butane SCHEMBL1011479 | 0.73 | CYP3A4 (0.41) | CYP3A4CYP2D6FAAHGABRA1ADRA2C | |
| SCHEMBL30657590 | 0.73 | FAAH (0.71) | CYP3A4CYP2D6FAAHGABRA1ADRA2C | |
| SCHEMBL27094617 | 0.73 | FAAH (0.71) | 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 3 patents. 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 |
| EP-2076508-A2 | BIARYL ETHER UREA COMPOUNDS | Pfizer Products Inc. (US) | 2009-07-08 | — | — | EP | disclosed |
| WO-2008047229-A2 | BIARYL ETHER UREA COMPOUNDS | PFIZER PRODUCTS INC. (US) | 2008-04-24 | — | — | WO | disclosed |