Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | DHODH | Q02127 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 2/20 | 0.30 |
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 SCHEMBL9719843 | 0.99 | HTR3A (0.32) | HTR3ADHODHPDE10AKDM1AMAOA | |
| SCHEMBL9466854 | 0.97 | HTR3A (0.32) | HTR3ADHODHPDE10AKDM1AMAOA | |
| SCHEMBL9466995 | 0.96 | HTR3A (0.31) | HTR3ADHODHPDE10AKDM1AMAOA | |
| Hydrochloric Acid SCHEMBL9467630 | 0.95 | HTR7 (0.31) | HTR3ADHODH | |
| SCHEMBL9466930 | 0.82 | MGAM (0.37) | — | |
| SCHEMBL8908086 | 0.82 | ALDH1A1 (0.42) | HTR3A | |
| Water SCHEMBL9825376 | 0.67 | LTA4H (0.37) | MAOA | |
| Hydrochloric Acid SCHEMBL9741845 | 0.67 | — | — | |
| SCHEMBL9825532 | 0.66 | LTA4H (0.45) | — | |
| SCHEMBL11597016 | 0.66 | CYP1A2 (0.50) | PDE10AKDM1AMAOAMAOB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5118691-A | Substituted tetrahydropyridines as central nervous system agents | WARNER-LAMBERT CO. (US) | 1992-06-02 | — | — | US | claimed |
| US-5187280-A | Dopaminergic, antipsychotic and antihypertensive agents | WARNER-LAMBERT COMPANY (US) | 1993-02-16 | — | — | US | disclosed |
| US-5118691-A | Substituted tetrahydropyridines as central nervous system agents | WARNER-LAMBERT CO. (US) | 1992-06-02 | — | — | US | disclosed |
| US-5045550-A | Antipsychotic, hypotensive agents, dopaminergic | WARNER-LAMBERT CO. (US) | 1991-09-03 | — | — | US | disclosed |