Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.58 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.58 |
| ▸ | HTR1A | P08908 | 1/20 | 0.58 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.58 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.58 |
| ▸ | DRD1 | P21728 | 1/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.58 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.58 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.58 |
| ▸ | DRD3 | P35462 | 1/20 | 0.58 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | FDPS | P14324 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6234599 | 0.89 | DRD3 (0.43) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL20816103 | 0.82 | SIGMAR1 (0.52) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL6637302 | 0.80 | KCNH2 (0.44) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL57607 | 0.80 | CA2 (0.40) | KCNH2CHRM2ADRA2ACHRM1SLC6A2 | |
| Water SCHEMBL27805121 | 0.80 | KCNH2 (0.88) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL6235591 | 0.78 | HRH3 (0.47) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL6235411 | 0.78 | KCNH2 (0.60) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL278144 | 0.78 | TDP1 (0.47) | KCNH2CHRM2ADRA2ACHRM1SLC6A2 | |
| SCHEMBL2791368 | 0.77 | KCNH2 (0.92) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL533252 | 0.77 | KCNH2 (0.46) | KCNH2CHRM2ADRA2ACHRM1SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0836613-B1 | WATER-SOLUBLE ADENOSINE KINASE INHIBITORS | METABASIS THERAPEUTICS INC (US) | 2005-05-25 | — | — | EP | 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 |