Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.72 |
| ▸ | DRD2 | P14416 | 2/20 | 0.72 |
| ▸ | DRD4 | P21917 | 2/20 | 0.72 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.72 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.72 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.72 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.72 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.72 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.72 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.72 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.72 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.72 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.72 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.72 |
| ▸ | HTR1A | P08908 | 1/20 | 0.72 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.72 |
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 | |
|---|---|---|---|---|
| SCHEMBL25066829 | 0.84 | SIGMAR1 (0.85) | SIGMAR1CHRM2CHRM4ABCB1CHRM5 | |
| SCHEMBL466974 | 0.84 | SIGMAR1 (1.00) | SIGMAR1CHRM2CHRM4ABCB1CHRM5 | |
| SCHEMBL9247478 | 0.84 | SIGMAR1 (1.00) | SIGMAR1DRD2DRD4HTR1AADRA1A | |
| SCHEMBL31060454 | 0.84 | SIGMAR1 (1.00) | SIGMAR1CHRM2CHRM4ABCB1CHRM5 | |
| SCHEMBL9249152 | 0.84 | SIGMAR1 (1.00) | SIGMAR1DRD2DRD4HTR1AADRA1A | |
| Hydrochloric Acid SCHEMBL29463387 | 0.83 | SIGMAR1 (0.98) | SIGMAR1CHRM2CHRM4ABCB1CHRM5 | |
| SCHEMBL8000336 | 0.83 | SIGMAR1 (0.70) | SIGMAR1DRD2DRD4CHRM2CHRM4 | |
| SCHEMBL8021562 | 0.83 | SIGMAR1 (0.70) | SIGMAR1DRD2DRD4CHRM2CHRM4 | |
| Hydrochloric Acid SCHEMBL20271899 | 0.83 | SIGMAR1 (0.98) | SIGMAR1CHRM2CHRM4ABCB1CHRM5 | |
| SCHEMBL9250389 | 0.82 | SIGMAR1 (0.85) | SIGMAR1DRD2DRD4CHRM2CHRM4 |
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-2009104058-A1 | TRITIUM RADIOLABELING OF [3H]-1-CYCLOHEXYL-4-[3-(5-METHOXY-1,2, 3,4,-TETRAHYDRONAPHTHALEN-1-YL)-N-PROPYL]PIPERAZINE ([3H]-PB28), AS A POTENT SIGMA-2 RECEPTOR LIGAND | UNIVERSITA' DEGLI STUDI DI BARI (IT) | 2009-08-27 | — | — | WO | disclosed |