Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 3/20 | 0.43 |
| ▸ | HTR1A | P08908 | 3/20 | 0.43 |
| ▸ | DRD1 | P21728 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD5 | P21918 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6237384 | 0.89 | KCNH2 (0.58) | DRD3HTR1ADRD1KCNH2OPRM1 | |
| SCHEMBL158946 | 0.81 | TAAR1 (0.57) | HTR1AAOC3HRH3HTR6ACHE | |
| SCHEMBL6235591 | 0.81 | HRH3 (0.47) | DRD3HTR1ADRD1KCNH2OPRM1 | |
| SCHEMBL6667357 | 0.79 | HRH3 (0.43) | DRD3HTR1ADRD1KCNH2OPRM1 | |
| SCHEMBL128292 | 0.78 | — | — | |
| Water SCHEMBL8191777 | 0.78 | OPRM1 (0.67) | DRD3HTR1ADRD1KCNH2OPRM1 | |
| SCHEMBL5969360 | 0.78 | KCNH2 (0.47) | DRD3HTR1ADRD1KCNH2OPRM1 | |
| SCHEMBL27509738 | 0.78 | LTA4H (0.38) | KCNH2OPRM1CHRM2CHRM1SLC6A2 | |
| SCHEMBL27932392 | 0.76 | CA2 (0.35) | SIGMAR1 | |
| SCHEMBL2463325 | 0.76 | KCNH2 (0.44) | DRD3HTR1ADRD1KCNH2OPRM1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0836613-B1 | WATER-SOLUBLE ADENOSINE KINASE INHIBITORS | METABASIS THERAPEUTICS INC (US) | 2005-05-25 | — | — | EP | disclosed |
| US-5945422-A | ANTICANCER AGENTS; ATHEROSCLEROSIS; RESTENOSIS; PSORIASIS | WARNER-LAMBERT COMPANY (US) | 1999-08-31 | — | — | US | disclosed |
| US-5795977-A | Water soluble adenosine kinase inhibitors | METABASIS THERAPEUTICS, INC. (US) | 1998-08-18 | — | — | US | disclosed |
| US-5726302-A | SUBSTITUTED 4-AMINO PYRROLO(2,3-D) PYRIMIDINE AND PYRAZOLO(3,4-D) PYRIMIDINE NUCLEOSIDE ANALOGS | GENSIA INC. (US) | 1998-03-10 | — | — | US | disclosed |
| CN-1088908-A | The chemical process of preparation 2-(2-aminomethyl phenyl)-3-methoxy-methyl acrylate | ZENECA LTD (GB) | 1994-07-06 | — | — | CN | disclosed |