Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | SPR | P35270 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 6/20 | 0.43 |
| ▸ | KDM5A | P29375 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 3/20 | 0.40 |
| ▸ | PDCD1LG2 | Q9BQ51 | 1/20 | 0.40 |
| ▸ | CD274 | Q9NZQ7 | 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 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7120829 | 0.89 | DRD4 (0.48) | HSD11B1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL19087063 | 0.79 | HSD11B1 (0.46) | HSD11B1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL2076284 | 0.79 | HSD11B1 (0.46) | HSD11B1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL2076700 | 0.79 | HSD11B1 (0.46) | HSD11B1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL21274017 | 0.77 | DRD4 (0.50) | HSD11B1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL3845634 | 0.77 | DRD4 (0.50) | HSD11B1DRD4DRD2PDCD1LG2CD274 | |
| SCHEMBL19117549 | 0.77 | DRD4 (0.50) | HSD11B1DRD4DRD2PDCD1LG2CD274 | |
| SCHEMBL29640084 | 0.76 | HSD11B1 (0.59) | HSD11B1SPRMAP4K4USP30DRD4 | |
| SCHEMBL3104655 | 0.76 | USP30 (0.52) | HSD11B1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL2737376 | 0.76 | KDM5A (0.48) | HSD11B1CHRM2CHRM4CHRM5CHRM1 |
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-2788333-B1 | 1,2,4-TRIAZOLES AS ALLOSTERIC MODULATORS OF MGLU5 RECEPTOR ACTIVITY FOR THE TREATMENT OF SCHIZOPHRENIA OF DEMENTIA | BOEHRINGER INGELHEIM INT (DE) | 2016-03-23 | — | — | EP | disclosed |
| WO-2013083741-A1 | 1,2,4 -TRIAZOLES AS ALLOSTERIC MODULATORS OF MGLU5 RECEPTOR ACTIVITY FOR THE TREATMENT OF SCHIZOPHRENIA OF DEMENTIA | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-13 | — | — | WO | disclosed |