Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 18/20 | 0.58 |
| ▸ | NOS2 | P35228 | 15/20 | 0.58 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.58 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.58 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.58 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.58 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.58 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.58 |
| ▸ | HTR1B | P28222 | 1/20 | 0.58 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.58 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.58 |
| ▸ | NOS3 | P29474 | 14/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL6602315 | 1.00 | NOS1 (0.58) | NOS1NOS2CHRM2ADRA2ACYP2D6 | |
| Hydrochloric Acid SCHEMBL5385359 | 0.99 | NOS1 (0.58) | NOS1NOS2CHRM2ADRA2ACYP2D6 | |
| Hydrochloric Acid SCHEMBL5385353 | 0.99 | NOS1 (0.58) | NOS1NOS2CHRM2ADRA2ACYP2D6 | |
| SCHEMBL6602083 | 0.84 | NOS3 (0.49) | NOS1NOS2NOS3 | |
| SCHEMBL6602079 | 0.84 | NOS3 (0.49) | NOS1NOS2NOS3 | |
| SCHEMBL6599860 | 0.81 | NOS1 (0.50) | NOS1NOS2CHRM2ADRA2ACYP2D6 | |
| SCHEMBL6599857 | 0.81 | NOS1 (0.50) | NOS1NOS2CHRM2ADRA2ACYP2D6 | |
| SCHEMBL5389910 | 0.81 | NOS1 (0.56) | NOS1NOS2CHRM2ADRA2ACYP2D6 | |
| SCHEMBL5389914 | 0.81 | NOS1 (0.56) | NOS1NOS2CHRM2ADRA2ACYP2D6 | |
| SCHEMBL6599828 | 0.80 | NOS1 (0.53) | NOS1NOS2CHRM2ADRA2ACYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1265891-B1 | NOVEL LIPOIC ACID HETEROCYCLIC OR BENZENE DERIVATIVES, PREPARATION AND USE THEREOF AS MEDICINES | CONSEILS DE RECH SET D APPLIC (FR) | 2004-12-29 | — | — | EP | disclosed |