Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | MPO | P05164 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | HTR1D | P28221 | 1/20 | 0.54 |
| ▸ | HTR1B | P28222 | 1/20 | 0.54 |
| ▸ | HTR2A | P28223 | 1/20 | 0.54 |
| ▸ | HTR2C | P28335 | 1/20 | 0.54 |
| ▸ | HTR7 | P34969 | 1/20 | 0.54 |
| ▸ | CTSK | P43235 | 1/20 | 0.54 |
| ▸ | HTR6 | P50406 | 1/20 | 0.54 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL19953385 | 0.86 | ALDH1A1 (0.59) | ALDH1A1KDM4ECYP1A2CYP2C19TNKS2 | |
| SCHEMBL29792690 | 0.86 | ALDH1A1 (0.59) | ALDH1A1KDM4ECYP1A2CYP2C19TNKS2 | |
| SCHEMBL8368811 | 0.83 | ALDH1A1 (0.56) | ALDH1A1KDM4ECYP1A2CYP2C19TNKS2 | |
| SCHEMBL9154966 | 0.83 | ALDH1A1 (0.56) | ALDH1A1KDM4ECYP1A2CYP2C19TNKS2 | |
| SCHEMBL9766051 | 0.83 | ALDH1A1 (0.62) | ALDH1A1KDM4ECYP1A2CYP2C19TNKS2 | |
| SCHEMBL30175797 | 0.81 | ALDH1A1 (0.55) | ALDH1A1KDM4ECYP1A2CYP2C19TNKS2 | |
| SCHEMBL1771514 | 0.80 | CYP1A2 (0.63) | ALDH1A1KDM4ECYP1A2CYP2C19TNKS2 | |
| SCHEMBL30430848 | 0.80 | ALDH1A1 (0.67) | ALDH1A1KDM4ECYP1A2CYP2C19TNKS2 | |
| SCHEMBL9158331 | 0.80 | ALDH1A1 (0.53) | ALDH1A1KDM4ECYP1A2CYP2C19TNKS2 | |
| SCHEMBL9157826 | 0.79 | ALDH1A1 (0.51) | ALDH1A1KDM4ECYP1A2CYP2C19TNKS2 |
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 |