Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.49 |
| ▸ | SLC18A3 | Q16572 | 3/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9498356 | 0.92 | CHRNA7 (0.50) | CHRNA7SLC18A3SIGMAR1 | |
| SCHEMBL9748308 | 0.92 | CHRNA7 (0.50) | CHRNA7SLC18A3SIGMAR1 | |
| SCHEMBL9748301 | 0.92 | CHRNA7 (0.50) | CHRNA7SLC18A3SIGMAR1 | |
| SCHEMBL4127463 | 0.84 | SLC18A3 (0.45) | SLC18A3BLMTSHR | |
| SCHEMBL4127466 | 0.84 | SLC18A3 (0.45) | SLC18A3BLMTSHR | |
| SCHEMBL4127471 | 0.84 | SLC18A3 (0.45) | SLC18A3BLMTSHR | |
| SCHEMBL9772430 | 0.81 | CHRNA7 (0.45) | CHRNA7SLC18A3TSHR | |
| SCHEMBL4918019 | 0.81 | CHRNA7 (0.45) | CHRNA7SLC18A3TSHR | |
| SCHEMBL9813886 | 0.81 | CHRNA7 (0.45) | CHRNA7SLC18A3TSHR | |
| SCHEMBL9492994 | 0.81 | CHRNA7 (0.49) | CHRNA7SIGMAR1IDO1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0329563-B1 | BENZOCYCLOHEXANE AND BENZOCYCLOHEPTANE DERIVATIVES AND THEIR SALTS, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM | ROUSSEL-UCLAF (FR) | 1993-04-21 | — | — | EP | disclosed |
| US-5130329-A | Amino, amide substituted compounds | ROUSSEL UCLAF (FR) | 1992-07-14 | — | — | US | disclosed |
| US-5068244-A | Benzcarbocyclic amides with nitro groups | ROUSSEL UCLAF (FR) | 1991-11-26 | — | — | US | disclosed |
| EP-0329563-A2 | Benzocyclohexane and benzocycloheptane derivatives and their salts, process and intermediates for their preparation, their use as medicines and compositions containing them | ROUSSEL-UCLAF (FR) | 1989-08-23 | — | — | EP | disclosed |