Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | GNAI3 | P08754 | 3/20 | 0.34 |
| ▸ | GNAO1 | P09471 | 3/20 | 0.34 |
| ▸ | GNAI1 | P63096 | 3/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | FAP | Q12884 | 1/20 | 0.34 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.34 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.33 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.32 |
| ▸ | BPTF | Q12830 | 2/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.31 |
| ▸ | APLNR | P35414 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1000070 | 0.98 | KCNH2 (0.52) | KCNH2HDAC4NAMPTGNAI3GNAO1 | |
| Hydrochloric Acid SCHEMBL30954979 | 0.98 | KCNH2 (0.52) | KCNH2HDAC4NAMPTGNAI3GNAO1 | |
| SCHEMBL4398865 | 0.89 | KCNH2 (0.41) | KCNH2APLNRSLC6A1SLC6A11SLC6A13 | |
| SCHEMBL962883 | 0.89 | KCNH2 (0.41) | KCNH2APLNRSLC6A1SLC6A11SLC6A13 | |
| SCHEMBL695332 | 0.88 | KCNH2 (0.42) | KCNH2GNAI3GNAO1GNAI1EPHX1 | |
| SCHEMBL3915835 | 0.87 | KCNH2 (0.48) | KCNH2NAMPTGNAI3GNAO1GNAI1 | |
| SCHEMBL24072881 | 0.81 | GNAI3 (0.45) | KCNH2GNAI3GNAO1GNAI1EPHX1 | |
| SCHEMBL25021954 | 0.81 | GNAI3 (0.45) | KCNH2GNAI3GNAO1GNAI1EPHX1 | |
| Hydrochloric Acid SCHEMBL31722748 | 0.79 | GNAI3 (0.39) | KCNH2GNAI3GNAO1GNAI1EPHX1 | |
| SCHEMBL2411400 | 0.79 | KCNH2 (0.47) | KCNH2HDAC4NAMPTDPP4FAP |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102803216-B | Heterocylic antiviral compounds | F. HOFFMANN-LA ROCHE AG (CH) | 2016-04-06 | — | — | CN | disclosed |
| CN-102971305-B | Heterocyclic antiviral compounds | F. HOFFMANN-LA ROCHE AG (CH) | 2016-02-03 | — | — | CN | disclosed |