Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | GBA1 | P04062 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9550040 | 0.82 | OPRK1 (0.38) | — | |
| SCHEMBL9549926 | 0.79 | SIGMAR1 (0.47) | BCHEACHE | |
| SCHEMBL9550005 | 0.79 | FDFT1 (0.37) | — | |
| SCHEMBL9550050 | 0.78 | HTR1A (0.44) | GAAALDH1A1 | |
| SCHEMBL9764582 | 0.70 | OPRM1 (0.38) | — | |
| SCHEMBL9549940 | 0.69 | ACHE (0.42) | BCHEACHEALDH1A1CYP1A2CYP2D6 | |
| Fumaric Acid SCHEMBL9549925 | 0.68 | MEN1 (0.41) | ALDH1A1 | |
| SCHEMBL9549928 | 0.68 | CYP2D6 (0.37) | CYP2D6 | |
| SCHEMBL9540887 | 0.67 | ACHE (0.58) | BCHEACHEALDH1A1CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL9537459 | 0.67 | ACHE (0.57) | BCHEACHECYP1A2CYP2D6 |
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 |