Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.46 |
| ▸ | SCN1A | P35498 | 3/20 | 0.46 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.46 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.46 |
| ▸ | HRH1 | P35367 | 3/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.46 |
| ▸ | DRD3 | P35462 | 3/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27508162 | 0.86 | HTT (0.45) | HTTCHRM2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL21738852 | 0.83 | SLC6A2 (0.57) | HTTCHRM2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1415333 | 0.83 | SLC6A2 (0.62) | HTTCHRM2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27458698 | 0.76 | SLC6A2 (0.41) | HTTCHRM2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL14962410 | 0.75 | HTT (0.43) | HTTCHRM2SLC6A2SLC6A4SLC6A3 | |
| Phenol SCHEMBL28085351 | 0.75 | SCN1A (0.53) | HTTCHRM2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6751152 | 0.74 | SLC6A2 (0.51) | HTTCHRM2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27980912 | 0.74 | IDO1 (0.53) | HTTCHRM2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4384773 | 0.73 | HTT (0.44) | HTTCHRM2SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL4443321 | 0.72 | CYP3A4 (0.58) | HTTCHRM2SLC6A2SLC6A4SLC6A3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4258045-A | 2,4-DIAMINO-5-((ARYLALKOXY)BENZYL)-PYRIMIDINES AS ANTIBACTERIAL, ANTIPROTOZOAL AND ANTITUMOR AGENTS | MERCK & CO., INC. (US) | 1981-03-24 | — | — | US | disclosed |