Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | CTSC | P53634 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | KMO | O15229 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.31 |
| ▸ | UTS2R | Q9UKP6 | 4/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15520696 | 0.94 | GPR55 (0.37) | GPR55ALDH1A1PDE3BPDE3ACTSC | |
| SCHEMBL15520294 | 0.93 | GPR55 (0.36) | GPR55ALDH1A1PDE3BPDE3AKMO | |
| SCHEMBL15520371 | 0.92 | GPR55 (0.37) | GPR55ALDH1A1PDE3BPDE3ACTSC | |
| SCHEMBL15520206 | 0.91 | GPR55 (0.37) | GPR55ALDH1A1PDE3BPDE3ACTSC | |
| SCHEMBL15520365 | 0.91 | FFAR4 (0.35) | GPR55ALDH1A1PDE3BPDE3AKMO | |
| SCHEMBL15520588 | 0.91 | GPR55 (0.35) | GPR55ALDH1A1PDE3BPDE3AESR1 | |
| SCHEMBL15520752 | 0.91 | GPR55 (0.38) | GPR55ALDH1A1PDE3BPDE3ACTSC | |
| SCHEMBL15520803 | 0.91 | GPR55 (0.38) | GPR55ALDH1A1PDE3BPDE3ACTSC | |
| SCHEMBL15520533 | 0.91 | GPR55 (0.38) | GPR55ALDH1A1PDE3BPDE3ACTSC | |
| SCHEMBL473952 | 0.90 | GPR55 (0.39) | GPR55ALDH1A1PDE3BPDE3ACTSC |
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-2411365-B1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2014-03-19 | — | — | EP | claimed |