Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.40 |
| ▸ | USP2 | O75604 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 4/20 | 0.37 |
| ▸ | CASP7 | P55210 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5611448 | 0.91 | CYP2C19 (0.46) | ALDH1A1TSHRCYP2C19PIK3CACYP1A2 | |
| SCHEMBL5611658 | 0.86 | ALDH1A1 (0.43) | ALDH1A1TSHRCYP2C19CYP1A2HSD17B10 | |
| SCHEMBL5611522 | 0.85 | GLA (0.54) | ALDH1A1TSHRCYP2C19CYP1A2HSD17B10 | |
| SCHEMBL1753421 | 0.83 | MCHR1 (0.42) | ALDH1A1TSHRCYP2C19PIK3CACYP1A2 | |
| SCHEMBL1753607 | 0.81 | NPSR1 (0.45) | ALDH1A1TSHRCYP2C19CYP1A2HSD17B10 | |
| SCHEMBL1689044 | 0.77 | ALDH1A1 (0.43) | ALDH1A1TSHRCYP2C19CYP1A2USP2 | |
| SCHEMBL5611969 | 0.77 | ALDH1A1 (0.43) | ALDH1A1TSHRCYP2C19CYP1A2USP2 | |
| SCHEMBL1689027 | 0.76 | MAPT (0.43) | ALDH1A1TSHRCYP2C19CYP1A2HSD17B10 | |
| SCHEMBL1688934 | 0.76 | MAPT (0.45) | ALDH1A1TSHRCYP2C19CYP1A2HSD17B10 | |
| SCHEMBL5612513 | 0.76 | GRM1 (0.46) | ALDH1A1TSHRCYP2C19CYP1A2HSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1807429-A2 | COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY | IRM, LLC (BM) | 2007-07-18 | — | — | EP | claimed |
| WO-2006047516-A2 | COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY | IRM LLC (BM) | 2006-05-04 | — | — | WO | claimed |