Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE1C | Q14123 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | DCUN1D1 | Q96GG9 | 2/20 | 0.43 |
| ▸ | TACR1 | P25103 | 2/20 | 0.43 |
| ▸ | UBE2M | P61081 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6202628 | 0.84 | HTR2A (0.51) | HTR2ASLC6A2SLC6A4SLC6A3CYP2D6 | |
| Hydrochloric Acid SCHEMBL7138456 | 0.83 | PYCR1 (0.45) | PDE1CLMNAALDH1A1RAB9APOLB | |
| SCHEMBL1205029 | 0.79 | CCR5 (0.50) | ATMCCR5 | |
| SCHEMBL2791615 | 0.78 | HTR2A (0.51) | HTR2ASLC6A2SLC6A4SLC6A3CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL22588019 | 0.78 | DCUN1D1 (0.53) | HTR2ASLC6A2SLC6A4SLC6A3CYP2D6 | |
| Hydrochloric Acid SCHEMBL2791610 | 0.78 | HTR2A (0.50) | HTR2ASLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL13543078 | 0.78 | CCR5 (0.46) | HTR2ACCR5 | |
| SCHEMBL2569626 | 0.77 | CYP1A2 (0.55) | PDE1CLMNAALDH1A1RAB9AATM | |
| SCHEMBL803880 | 0.77 | CCR5 (0.54) | HTR2ASLC6A2SLC6A4SLC6A3CYP2D6 | |
| Hydrochloric Acid SCHEMBL7665198 | 0.76 | CCR5 (0.43) | HTR2ACCR5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |