Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 9/20 | 0.60 |
| ▸ | NOS1 | P29475 | 9/20 | 0.48 |
| ▸ | NOS2 | P35228 | 9/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.47 |
| ▸ | HTR1B | P28222 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
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 SCHEMBL7506648 | 0.99 | NOS3 (0.59) | NOS3NOS1NOS2KCNH2 | |
| SCHEMBL7513352 | 0.93 | NOS3 (0.57) | NOS3NOS1NOS2CHRM2ADRA2A | |
| Hydrochloric Acid SCHEMBL7510695 | 0.92 | NOS3 (0.56) | NOS3NOS1NOS2CYP2D6KCNH2 | |
| SCHEMBL7511924 | 0.86 | NOS3 (0.63) | NOS3NOS1NOS2CHRM2ADRA2A | |
| Hydrochloric Acid SCHEMBL7511295 | 0.85 | NOS3 (0.61) | NOS3NOS1NOS2CHRM2ADRA2A | |
| SCHEMBL7510210 | 0.80 | NOS3 (0.69) | NOS3NOS1NOS2CHRM2ADRA2A | |
| SCHEMBL7510902 | 0.78 | NOS3 (0.63) | NOS3NOS1NOS2KCNH2 | |
| SCHEMBL7512817 | 0.76 | NOS3 (0.58) | NOS3NOS1NOS2CHRM2ADRA2A | |
| SCHEMBL7832808 | 0.75 | NOS3 (1.00) | NOS3NOS1NOS2CHRM2ADRA2A | |
| SCHEMBL7552149 | 0.74 | NOS3 (0.56) | NOS3NOS1NOS2CHRM2ADRA2A |
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-A1 | AMIDINE AND ISOTHIOUREA DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | Astra Aktiebolag (SE) | 1998-09-02 | — | — | EP | claimed |
| WO-1997017344-A1 | AMIDINE AND ISOTHIOUREA DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRA AKTIEBOLAG (SE) | 1997-05-15 | — | — | WO | claimed |