Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 1/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.40 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD5 | P21918 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL15084309 | 0.83 | HRH3 (0.48) | FAAHMCHR1 | |
| SCHEMBL20281637 | 0.81 | TMEM97 (0.48) | FAAHMCHR1HCRTR1HCRTR2OPRK1 | |
| SCHEMBL15081965 | 0.80 | OPRM1 (0.53) | FAAHMCHR1HCRTR1HCRTR2OPRM1 | |
| SCHEMBL807593 | 0.78 | FAAH (0.57) | FAAHMCHR1HCRTR1HCRTR2OPRM1 | |
| SCHEMBL10005899 | 0.76 | FAAH (0.52) | FAAHMCHR1 | |
| SCHEMBL12513821 | 0.75 | CYP2D6 (0.59) | CYP2D6 | |
| SCHEMBL10212322 | 0.75 | CYP2D6 (0.59) | CYP2D6 | |
| SCHEMBL15147442 | 0.74 | FAAH (0.50) | FAAHMCHR1 | |
| SCHEMBL14375252 | 0.74 | ACHE (0.55) | FAAHMCHR1KDM1A | |
| SCHEMBL20281852 | 0.74 | MCHR1 (0.43) | FAAHMCHR1OPRK1MAOA |
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-2012036997-A1 | FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS | SCHERING CORPORATION (US) | 2012-03-22 | — | — | WO | disclosed |