Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 3/20 | 0.33 |
| ▸ | CA9 | Q16790 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA7 | P43166 | 2/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CCR1 | P32246 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1091043 | 0.68 | CA12 (0.39) | TRPA1CA12CA9CA1CA2 | |
| SCHEMBL4273814 | 0.66 | CA12 (0.40) | TRPA1CA12CA9CA1CA2 | |
| SCHEMBL4542059 | 0.66 | CA1 (0.46) | TRPA1CA12CA9CA1CA2 | |
| SCHEMBL1447451 | 0.65 | HTR2C (0.36) | TRPA1CA12CA9CA1CA2 | |
| SCHEMBL7829173 | 0.64 | CA12 (0.42) | CA12CA9CA1CA2CA7 | |
| SCHEMBL8884488 | 0.62 | CA2 (0.50) | CA12CA9CA1CA2CA7 | |
| SCHEMBL16909647 | 0.59 | CA1 (0.46) | CA12CA9CA1CA2CA7 | |
| SCHEMBL3657236 | 0.58 | DRD1 (0.41) | CA12CA9CA1CA2CA7 | |
| SCHEMBL4695235 | 0.58 | CA12 (0.49) | TRPA1CA12CA9CA1CA2 | |
| SCHEMBL322514 | 0.57 | TRPA1 (0.39) | TRPA1CA12CA9CA1CA2 |
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 |