Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.61 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.58 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.54 |
| ▸ | CHRNA10 | Q9GZZ6 | 2/20 | 0.54 |
| ▸ | CHRNA9 | Q9UGM1 | 2/20 | 0.54 |
| ▸ | APP | P05067 | 9/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | LTA4H | P09960 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL2043353 | 0.94 | AHR (0.67) | AHRNR5A1CHRNA7CHRNA10CHRNA9 | |
| SCHEMBL12312180 | 0.94 | AHR (0.67) | AHRNR5A1CHRNA7CHRNA10CHRNA9 | |
| SCHEMBL13790317 | 0.94 | AHR (0.67) | AHRNR5A1CHRNA7CHRNA10CHRNA9 | |
| SCHEMBL2044215 | 0.94 | AHR (0.67) | AHRNR5A1CHRNA7CHRNA10CHRNA9 | |
| SCHEMBL12214081 | 0.94 | AHR (0.67) | AHRNR5A1CHRNA7CHRNA10CHRNA9 | |
| SCHEMBL23998046 | 0.94 | AHR (0.67) | AHRNR5A1CHRNA7CHRNA10CHRNA9 | |
| SCHEMBL2042216 | 0.94 | AHR (0.67) | AHRNR5A1CHRNA7CHRNA10CHRNA9 | |
| SCHEMBL28773576 | 0.89 | CHRNA7 (0.55) | AHRNR5A1CHRNA7CHRNA10CHRNA9 | |
| SCHEMBL9915594 | 0.89 | AHR (0.73) | AHRCHRNA7CHRNA10CHRNA9APP | |
| SCHEMBL5739187 | 0.88 | CHRNA7 (0.68) | AHRCHRNA7CHRNA10CHRNA9LTA4H |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4894181-A | Carbocyclic compounds | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1990-01-16 | — | — | US | disclosed |
| US-4758373-A | Carbocyclic compounds | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1988-07-19 | — | — | US | disclosed |