Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 10/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 9/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 9/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9549900 | 0.81 | KDM4E (0.39) | CYP2D6 | |
| SCHEMBL9549969 | 0.81 | DRD3 (0.48) | OPRM1OPRK1OPRD1 | |
| Acetic Acid SCHEMBL9549932 | 0.76 | MAPT (0.37) | CYP2D6LMNA | |
| Fumaric Acid SCHEMBL9549924 | 0.73 | MAPT (0.47) | CYP2D6LMNAESR1 | |
| Fumaric Acid SCHEMBL9549906 | 0.73 | MAPT (0.47) | CYP2D6LMNAESR1 | |
| SCHEMBL11768141 | 0.72 | OPRD1 (0.44) | CYP2D6TSHROPRM1OPRK1OPRD1 | |
| SCHEMBL11804649 | 0.70 | OPRK1 (0.48) | OPRM1OPRK1OPRD1 | |
| Fumaric Acid SCHEMBL9549941 | 0.68 | MAPT (0.42) | LMNA | |
| Fumaric Acid SCHEMBL9549960 | 0.68 | MAPT (0.42) | LMNA | |
| SCHEMBL9549934 | 0.68 | BCHE (0.42) | CYP2D6 |
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-5264575-A | Reacting 1,3-benzodiazocine-8-ol derivative with lutidine/2,6-/, triisoproylsilyltrifluoro methane, formed intermediate reacted with lithium chloride, tetrabutylammonium fluoride and isocyanate | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1993-11-23 | — | — | US | disclosed |
| US-5097033-A | Aminoethyl quinoline 2-ones, intermediates for analgesic, and cholinergic agents for memory disorders | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1992-03-17 | — | — | US | disclosed |
| US-5010083-A | Cognition activator; Alzheimer*s disease | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1991-04-23 | — | — | US | disclosed |
| EP-0335292-A2 | 2,6-Methano-1,3-benzodiazocines, a process for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1989-10-04 | — | — | EP | disclosed |