Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | GNAI3 | P08754 | 3/20 | 0.38 |
| ▸ | GNAO1 | P09471 | 3/20 | 0.38 |
| ▸ | GNAI1 | P63096 | 3/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19519934 | 0.92 | ALDH1A1 (0.44) | ALDH1A1SIGMAR1POLBHTTOPRD1 | |
| SCHEMBL23776267 | 0.91 | ALDH1A1 (0.40) | ALDH1A1SIGMAR1POLBHTTOPRD1 | |
| SCHEMBL16122917 | 0.90 | ALDH1A1 (0.46) | ALDH1A1SIGMAR1POLBHTTOPRD1 | |
| SCHEMBL19519935 | 0.90 | ALDH1A1 (0.42) | ALDH1A1SIGMAR1POLBHTTOPRD1 | |
| SCHEMBL22168421 | 0.88 | ALDH1A1 (0.43) | ALDH1A1SIGMAR1POLBHTTOPRD1 | |
| SCHEMBL16079041 | 0.85 | SIGMAR1 (0.48) | ALDH1A1SIGMAR1POLBHTTOPRD1 | |
| SCHEMBL16076285 | 0.84 | OPRD1 (0.42) | ALDH1A1POLBHTTOPRD1GNAI3 | |
| SCHEMBL23776268 | 0.84 | ALDH1A1 (0.40) | ALDH1A1SIGMAR1POLBHTTOPRD1 | |
| SCHEMBL16077714 | 0.82 | ALDH1A1 (0.45) | ALDH1A1SIGMAR1POLBHTTOPRD1 | |
| SCHEMBL24703430 | 0.82 | GNAI3 (0.45) | ALDH1A1SIGMAR1POLBHTTOPRD1 |
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-2017180916-A1 | MULTI-DOSE COMPOSITIONS CONTAINING AN ANTIMICROBIAL POLYAMIDE OR OCTENIDINE PRESERVATIVE | MERIAL, INC. (US) | 2017-10-19 | — | — | WO | disclosed |