Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8099618 | 0.91 | KCNH2 (0.47) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL8097390 | 0.89 | AOC3 (0.55) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL8100038 | 0.84 | SIGMAR1 (0.58) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL8091654 | 0.83 | SIGMAR1 (0.61) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL8084282 | 0.79 | TAAR1 (0.55) | AOC3SIGMAR1TAAR1 | |
| SCHEMBL8099117 | 0.77 | SIGMAR1 (0.63) | SIGMAR1 | |
| SCHEMBL3025006 | 0.74 | TP53 (0.70) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL6548137 | 0.74 | TP53 (0.70) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL9752778 | 0.71 | MEN1 (0.46) | SIGMAR1TP53KIF11 | |
| SCHEMBL633290 | 0.70 | TP53 (0.78) | KCNH2CHRM2HTR1AADRA2ACHRM1 |
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-1991009594-A1 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1991-07-11 | — | — | WO | claimed |