Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.48 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL23339682 | 0.80 | SIGMAR1 (0.45) | SIGMAR1ABCB1TMEM97 | |
| SCHEMBL23339232 | 0.79 | ABCB1 (0.47) | SIGMAR1ABCB1TMEM97 | |
| SCHEMBL23339240 | 0.73 | SIGMAR1 (0.43) | SIGMAR1CHRM2CHRM4ABCB1CHRM5 | |
| SCHEMBL7936484 | 0.71 | SIGMAR1 (0.55) | SIGMAR1CHRM2CHRM4ABCB1CHRM5 | |
| SCHEMBL23339957 | 0.69 | ABCB1 (0.39) | SIGMAR1ABCB1 | |
| SCHEMBL23339727 | 0.69 | ABCB1 (0.47) | SIGMAR1ABCB1TMEM97 | |
| SCHEMBL29985090 | 0.68 | SIGMAR1 (1.00) | SIGMAR1CHRM2CHRM4ABCB1CHRM5 | |
| SCHEMBL23339303 | 0.68 | SIGMAR1 (0.44) | SIGMAR1ABCB1TMEM97 | |
| SCHEMBL12673206 | 0.68 | SIGMAR1 (1.00) | SIGMAR1CHRM2CHRM4ABCB1CHRM5 | |
| SCHEMBL6660619 | 0.68 | SIGMAR1 (0.56) | SIGMAR1ABCB1TMEM97 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3102204-B1 | HIGHLY SELECTIVE SIGMA 1 RECEPTOR LIGANDS AND RADIOLIGANDS AS PROBES IN NOCICEPTIVE PROCESSING AND THE PATHOPHYSIOLOGICAL STUDY OF MEMORY DEFICITS AND COGNITIVE DISORDERS | THE UNIV OF MISSISSIPPI (US) | 2021-05-05 | — | — | EP | disclosed |