Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 4/20 | 0.53 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.53 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | APEX1 | P27695 | 2/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9752331 | 1.00 | CHRM2 (0.53) | CHRM2CHRM5CHRM1CHRM3CYP2D6 | |
| SCHEMBL9752524 | 0.96 | CHRM2 (0.50) | CHRM2CHRM5CHRM1CHRM3CYP2D6 | |
| SCHEMBL9752361 | 0.96 | CHRM2 (0.50) | CHRM2CHRM5CHRM1CHRM3CYP2D6 | |
| Oxalic Acid SCHEMBL9752509 | 0.91 | BLM (0.47) | CHRM2CHRM5CHRM1CHRM3CYP2D6 | |
| Oxalic Acid SCHEMBL9752451 | 0.91 | BLM (0.47) | CHRM2CHRM5CHRM1CHRM3CYP2D6 | |
| SCHEMBL9752335 | 0.82 | CHRM2 (0.50) | CHRM2CHRM5CHRM1CHRM3CHRM4 | |
| SCHEMBL9752299 | 0.82 | CHRM2 (0.50) | CHRM2CHRM5CHRM1CHRM3CHRM4 | |
| SCHEMBL9752337 | 0.78 | CHRM2 (0.47) | CHRM2CHRM5CHRM1CHRM3CHRM4 | |
| SCHEMBL9752308 | 0.78 | CHRM2 (0.47) | CHRM2CHRM5CHRM1CHRM3CHRM4 | |
| SCHEMBL9752347 | 0.72 | CHRM2 (0.44) | CHRM2CHRM5CHRM1CHRM3CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1991000724-A1 | ALKYNYL AMINES THAT REGULATE CHOLINERGIC NEUROTRANSMISSION | ABBOTT LABORATORIES (US) | 1991-01-24 | — | — | WO | disclosed |