Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NNMT | P40261 | 2/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 2/20 | 0.34 |
| ▸ | HTR1D | P28221 | 5/20 | 0.34 |
| ▸ | HTR1B | P28222 | 2/20 | 0.34 |
| ▸ | DRD2 | P14416 | 3/20 | 0.33 |
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | CTSA | P10619 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29830988 | 0.76 | HTR2C (0.37) | HTR2CHSD11B1HTR1A | |
| SCHEMBL29831263 | 0.75 | RECQL (0.55) | HTR2CMEN1KMT2A | |
| SCHEMBL4555606 | 0.75 | CHEK2 (0.36) | NNMTHTR2CCHEK2MEN1KMT2A | |
| SCHEMBL4701188 | 0.74 | CHEK2 (0.35) | NNMTCHEK2MEN1KMT2AKDM1A | |
| SCHEMBL26101504 | 0.73 | NNMT (0.44) | NNMTMAPKAPK2CA1CA2CA7 | |
| Hydrochloric Acid SCHEMBL4875139 | 0.72 | MEN1 (0.37) | NNMTMAPKAPK2CA1CA2CA7 | |
| SCHEMBL20504221 | 0.70 | PRCP (0.53) | NNMTMAPKAPK2MEN1KMT2AKDM1A | |
| SCHEMBL20504355 | 0.70 | MAPKAPK2 (0.44) | NNMTMAPKAPK2MEN1KMT2AKDM1A | |
| SCHEMBL13728706 | 0.69 | AKR1C3 (0.39) | HSD11B1DRD4 | |
| SCHEMBL23304573 | 0.68 | OPRM1 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103998027-A | Methods of using SCD1 antagonists for cancer therapy | HOFFMANN LA ROCHE | 2014-08-20 | — | — | CN | disclosed |
| EP-2125799-A1 | THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE | Smithkline Beecham Corporation (US) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008104524-A1 | THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE | SMITHKLINE BEECHAM CORPORATION (US) | 2008-09-04 | — | — | WO | disclosed |