Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLA | P06280 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 9/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.45 |
| ▸ | TSHR | P16473 | 6/20 | 0.45 |
| ▸ | CASP1 | P29466 | 6/20 | 0.45 |
| ▸ | CASP7 | P55210 | 6/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1689145 | 0.85 | ALDH1A1 (0.47) | ALDH1A1NPSR1USP2CYP1A2TSHR | |
| SCHEMBL1689030 | 0.84 | GLA (0.54) | GLAALDH1A1NPSR1RAB9AUSP2 | |
| SCHEMBL1689066 | 0.82 | GLA (0.54) | GLAALDH1A1NPSR1RAB9AUSP2 | |
| SCHEMBL5611448 | 0.81 | CYP2C19 (0.46) | ALDH1A1USP2CYP1A2TSHRHSD17B10 | |
| SCHEMBL5611658 | 0.80 | ALDH1A1 (0.43) | ALDH1A1USP2CYP1A2TSHRCASP1 | |
| SCHEMBL5611969 | 0.74 | ALDH1A1 (0.43) | ALDH1A1USP2CYP1A2TSHRCYP3A4 | |
| SCHEMBL1689044 | 0.74 | ALDH1A1 (0.43) | ALDH1A1USP2CYP1A2TSHRCYP3A4 | |
| SCHEMBL1753437 | 0.74 | MCHR1 (0.46) | ALDH1A1NPSR1RAB9AUSP2CYP1A2 | |
| SCHEMBL5611498 | 0.73 | MAPT (0.43) | GLATSHRCYP3A4SMN1; SMN2HPGD | |
| SCHEMBL1688997 | 0.72 | TP53 (0.47) | ALDH1A1NPSR1RAB9AUSP2CYP1A2 |
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 | disclosed |
| WO-2006047516-A2 | COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY | IRM LLC (BM) | 2006-05-04 | — | — | WO | disclosed |