Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 14/20 | 0.50 |
| ▸ | NOS1 | P29475 | 17/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | NOS2 | P35228 | 10/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.42 |
| ▸ | HTR1B | P28222 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7511202 | 0.88 | NOS3 (0.56) | NOS3NOS1KCNH2CYP2D6CYP2C19 | |
| SCHEMBL7508369 | 0.87 | NOS3 (0.52) | NOS3NOS1SLC6A2KCNH2CYP2D6 | |
| Hydrochloric Acid SCHEMBL7508865 | 0.87 | NOS3 (0.55) | NOS3NOS1KCNH2CYP2D6CYP2C19 | |
| SCHEMBL7512817 | 0.86 | NOS3 (0.58) | NOS3NOS1SLC6A2KCNH2CYP2D6 | |
| SCHEMBL7512152 | 0.84 | NOS3 (0.56) | NOS3NOS1SLC6A2KCNH2CYP2D6 | |
| SCHEMBL7510986 | 0.82 | NOS1 (0.50) | NOS3NOS1KCNH2CYP2D6CYP2C19 | |
| SCHEMBL7516662 | 0.81 | NOS1 (0.51) | NOS3NOS1KCNH2CYP2D6CYP2C19 | |
| SCHEMBL7521990 | 0.81 | NOS3 (0.57) | NOS3NOS1KCNH2CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL7518368 | 0.80 | NOS3 (0.56) | NOS3NOS1KCNH2CYP2D6CYP2C19 | |
| SCHEMBL7512135 | 0.80 | NOS1 (0.50) | NOS3NOS1KCNH2CYP2D6NOS2 |
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 |
| US-6140322-A | Amidine and isothiourea derivatives as inhibitors of nitric oxide synthase | ASTRA AKTIEBOLAG (SE) | 2000-10-31 | — | — | US | disclosed |
| US-5929085-A | Amidine and isothiourea derivatives, compositions containing them and their use as inhibitors of nitric oxide synthase | ASTRA AKTIEBOLAG (SE) | 1999-07-27 | — | — | US | disclosed |