Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | ACP3 | P15309 | 1/20 | 0.42 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11300940 | 0.92 | KCNH2 (0.47) | KCNH2SIGMAR1MAOAMAOBHTR2A | |
| SCHEMBL1147908 | 0.87 | ACP3 (0.48) | KCNH2SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11365631 | 0.84 | HDAC1 (0.48) | KCNH2SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4952239 | 0.81 | FDFT1 (0.50) | — | |
| SCHEMBL9132974 | 0.80 | KCNH2 (0.66) | KCNH2SIGMAR1MAOACHRM2HTR1A | |
| SCHEMBL11305200 | 0.79 | HDAC1 (0.44) | KCNH2SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7374792 | 0.79 | SIGMAR1 (0.49) | SIGMAR1MAOB | |
| SCHEMBL10655335 | 0.79 | KCNH2 (0.46) | KCNH2SIGMAR1MAOACHRM2HTR1A | |
| SCHEMBL3020787 | 0.78 | HRH1 (0.40) | KCNH2SIGMAR1HTR2A | |
| SCHEMBL4951030 | 0.77 | ACP3 (0.41) | KCNH2SIGMAR1SLC6A2SLC6A4SLC6A3 |
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-1848692-A1 | AZOLYLACYLGUANIDINES AS ß-SECRETASE INHIBITORS | Wyeth (US) | 2007-10-31 | — | — | EP | disclosed |
| WO-2006088711-A1 | AZOLYLACYLGUANIDINES AS β-SECRETASE INHIBITORS | WYETH (US) | 2006-08-24 | — | — | WO | disclosed |
| US-5110865-A | Fiber treatment, lubricants, release agents, antifoam agents, lustrants | TORAY SILICONE COMPANY, LTD. (JP) | 1992-05-05 | — | — | US | disclosed |