Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9633412 | 0.74 | CHRM1 (0.35) | CHRM1SLC6A2SLC6A4 | |
| SCHEMBL9633040 | 0.74 | CHRM1 (0.35) | CHRM1SLC6A2SLC6A4 | |
| SCHEMBL9633105 | 0.65 | SLC6A2 (0.40) | CHRM1SLC6A2 | |
| SCHEMBL9631879 | 0.64 | — | — | |
| SCHEMBL9633866 | 0.64 | HCAR3 (0.35) | CHRM1SLC6A2SLC6A4 | |
| SCHEMBL6595913 | 0.63 | CHRM1 (0.38) | CHRM1SLC6A2SLC6A4 | |
| SCHEMBL30295320 | 0.63 | ESR1 (0.45) | CHRM1 | |
| Ammonia Solution, Strong SCHEMBL17092627 | 0.61 | CHRM1 (0.38) | CHRM1SLC6A2SLC6A4 | |
| SCHEMBL1309402 | 0.61 | CHRM1 (0.42) | CHRM1SLC6A2SLC6A4 | |
| SCHEMBL9557318 | 0.61 | KCNA3 (0.36) | CHRM1SLC6A2SLC6A4 |
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-5120861-A | DIAZIRINE DERIVATIVES OF AROMATIC HETEROCYCLIC COMPOUNDS | SHELL RESEARCH LIMITED (GB) | 1992-06-09 | — | — | US | disclosed |
| EP-0432817-A1 | Diazirine derivatives of aromatic heterocyclic compounds | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-06-19 | — | — | EP | disclosed |