Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 4/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 14/20 | 0.45 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7488795 | 0.89 | SIGMAR1 (0.50) | GRM2SIGMAR1HTR1A | |
| SCHEMBL7487787 | 0.89 | SIGMAR1 (0.50) | GRM2SIGMAR1HTR1A | |
| SCHEMBL7481896 | 0.89 | GRM2 (0.58) | GRM2SIGMAR1HTR1A | |
| SCHEMBL7484241 | 0.89 | SIGMAR1 (0.59) | GRM2SIGMAR1 | |
| SCHEMBL7528602 | 0.84 | SIGMAR1 (0.53) | GRM2SIGMAR1HTR1A | |
| SCHEMBL9678366 | 0.82 | GRM2 (0.67) | GRM2SIGMAR1HTR1A | |
| SCHEMBL7468890 | 0.80 | SIGMAR1 (0.52) | GRM2SIGMAR1 | |
| SCHEMBL7470276 | 0.80 | SIGMAR1 (0.52) | GRM2SIGMAR1 | |
| SCHEMBL7473692 | 0.80 | SIGMAR1 (0.66) | SIGMAR1 | |
| SCHEMBL7529065 | 0.80 | GRM2 (0.57) | GRM2SIGMAR1HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002030422-A1 | USE OF DEFINED SUBSTANCES THAT BIND TO THE SIGMA RECEPTOR FOR COMBATING SARCOMA AND CARCINOMA | MERCK PATENT GMBH (DE) | 2002-04-18 | — | — | WO | claimed |
| WO-2002030422-A1 | USE OF DEFINED SUBSTANCES THAT BIND TO THE SIGMA RECEPTOR FOR COMBATING SARCOMA AND CARCINOMA | MERCK PATENT GMBH (DE) | 2002-04-18 | — | — | WO | disclosed |
| WO-2002030422-A1 | USE OF DEFINED SUBSTANCES THAT BIND TO THE SIGMA RECEPTOR FOR COMBATING SARCOMA AND CARCINOMA | MERCK PATENT GMBH (DE) | 2002-04-18 | — | — | WO | disclosed |