Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | GPR68 | Q15743 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | HTR7 | P34969 | 2/20 | 0.34 |
| ▸ | HTR6 | P50406 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27609444 | 0.77 | MAOA (0.60) | ADORA2AADORA2BMAOAMAOBHTR7 | |
| SCHEMBL29167130 | 0.74 | CA1 (0.57) | KCNH3CA1CA2CA9ADORA2A | |
| SCHEMBL10188167 | 0.74 | — | — | |
| SCHEMBL18157948 | 0.73 | KCNH3 (0.47) | KCNH3HSP90AA1CHRM4P2RX7NAMPT | |
| SCHEMBL1282204 | 0.72 | KCNH3 (1.00) | KCNH3 | |
| SCHEMBL17327481 | 0.71 | KCNH3 (0.42) | KCNH3ADORA2AADORA2BHSP90AA1HRH4 | |
| SCHEMBL7992027 | 0.70 | KCNH3 (0.47) | KCNH3ADORA2AADORA2BCHRM4MAOA | |
| SCHEMBL553439 | 0.70 | — | — | |
| SCHEMBL536016 | 0.68 | KCNH3 (0.49) | KCNH3CA1CA2CA9ADORA2A | |
| Hydrochloric Acid SCHEMBL21880022 | 0.68 | KCNH3 (0.44) | KCNH3ADORA2AADORA2BHSP90AA1CHRM4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1697831-A | Methods and compositions of novel triazine compounds | REDDY US THERAPEUTICS INC (US) | 2005-11-16 | — | — | CN | claimed |