Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 5/20 | 0.56 |
| ▸ | NOS3 | P29474 | 4/20 | 0.56 |
| ▸ | NOS2 | P35228 | 4/20 | 0.56 |
| ▸ | QRFPR | Q96P65 | 1/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.48 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.48 |
| ▸ | HTR1B | P28222 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6600053 | 1.00 | NOS1 (0.56) | NOS1NOS3NOS2QRFPRCHRM2 | |
| SCHEMBL5386964 | 0.87 | QRFPR (0.50) | NOS1NOS3NOS2QRFPRCHRM2 | |
| SCHEMBL5386952 | 0.87 | QRFPR (0.50) | NOS1NOS3NOS2QRFPRCHRM2 | |
| SCHEMBL6599689 | 0.77 | NOS1 (0.55) | NOS1NOS3NOS2QRFPR | |
| SCHEMBL6599685 | 0.77 | NOS1 (0.55) | NOS1NOS3NOS2QRFPR | |
| SCHEMBL15511793 | 0.75 | NOS3 (0.57) | NOS1NOS3NOS2QRFPR | |
| SCHEMBL5380791 | 0.75 | NOS3 (0.62) | NOS1NOS3NOS2QRFPR | |
| SCHEMBL5380798 | 0.75 | NOS3 (0.62) | NOS1NOS3NOS2QRFPR | |
| SCHEMBL4131042 | 0.74 | DCUN1D1 (0.53) | KCNH2 | |
| SCHEMBL15512054 | 0.74 | NOS3 (0.56) | NOS1NOS3NOS2QRFPR |
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-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 |
| EP-1265891-A2 | NOVEL LIPOIC ACID HETEROCYCLIC OR BENZENE DERIVATIVES, PREPARATION AND USE THEREOF AS MEDICINES | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) | 2002-12-18 | — | — | EP | disclosed |
| WO-2001068643-A2 | NOVEL LIPOIC ACID HETEROCYCLIC OR BENZENE DERIVATIVES, PREPARATION AND USE THEREOF AS MEDICINES | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) | 2001-09-20 | — | — | WO | disclosed |