Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 13/20 | 0.61 |
| ▸ | NOS1 | P29475 | 18/20 | 0.60 |
| ▸ | NOS2 | P35228 | 15/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.53 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.53 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.53 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.53 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.53 |
| ▸ | HTR1B | P28222 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.53 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7509093 | 0.97 | NOS1 (0.62) | NOS3NOS1NOS2KCNH2CHRM2 | |
| Hydrochloric Acid SCHEMBL7512570 | 0.96 | NOS1 (0.61) | NOS3NOS1NOS2KCNH2CHRM2 | |
| SCHEMBL7513065 | 0.80 | NOS3 (0.64) | NOS3NOS1NOS2KCNH2CHRM2 | |
| SCHEMBL7511533 | 0.79 | NOS3 (0.65) | NOS3NOS1NOS2KCNH2SLC6A2 | |
| SCHEMBL7510808 | 0.77 | NOS3 (0.63) | NOS3NOS1NOS2KCNH2CHRM2 | |
| Hydrochloric Acid SCHEMBL7512219 | 0.77 | NOS3 (0.62) | NOS3NOS1NOS2 | |
| SCHEMBL7516223 | 0.77 | NOS1 (0.64) | NOS3NOS1NOS2KCNH2CHRM2 | |
| SCHEMBL7511429 | 0.76 | CHRNA7 (0.46) | — | |
| SCHEMBL7828344 | 0.76 | NOS3 (1.00) | NOS3NOS1NOS2KCNH2CHRM2 | |
| Hydrochloric Acid SCHEMBL7520322 | 0.76 | NOS1 (0.63) | NOS3NOS1NOS2 |
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-0861250-B1 | AMIDINE AND ISOTHIOUREA DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2002-02-13 | — | — | EP | claimed |
| EP-0861250-B1 | AMIDINE AND ISOTHIOUREA DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2002-02-13 | — | — | EP | disclosed |
| US-6140322-A | Amidine and isothiourea derivatives as inhibitors of nitric oxide synthase | ASTRA AKTIEBOLAG (SE) | 2000-10-31 | — | — | US | disclosed |