Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 10/20 | 0.47 |
| ▸ | EBP | Q15125 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD5 | P21918 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7654995 | 0.74 | DRD2 (0.45) | SIGMAR1EBPMAPK1SMN1; SMN2CHRM2 | |
| SCHEMBL21130578 | 0.72 | SIGMAR1 (0.57) | SIGMAR1EBP | |
| SCHEMBL20618801 | 0.71 | ALDH1A1 (0.43) | SIGMAR1EBPMAPK1SMN1; SMN2CHRM2 | |
| SCHEMBL20272386 | 0.71 | ALDH1A1 (0.43) | SIGMAR1EBPMAPK1SMN1; SMN2CHRM2 | |
| SCHEMBL12021583 | 0.71 | MAOA (0.47) | SIGMAR1EBPMAPK1SMN1; SMN2MAOA | |
| SCHEMBL7811146 | 0.70 | MAPK1 (0.40) | SIGMAR1EBPMAPK1SMN1; SMN2CHRM2 | |
| Bromomethane SCHEMBL7768740 | 0.70 | ALDH1A1 (0.42) | SIGMAR1EBPMAPK1SMN1; SMN2CHRM2 | |
| SCHEMBL7809995 | 0.70 | MAPK1 (0.60) | SIGMAR1EBPMAPK1SMN1; SMN2CHRM2 | |
| SCHEMBL19505650 | 0.69 | LMNA (0.63) | SIGMAR1EBPMAPK1SMN1; SMN2CHRM2 | |
| SCHEMBL7782464 | 0.69 | ESR2 (0.48) | SIGMAR1EBPMAOB |
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-3221314-B1 | SPIRO-ISOQUINOLINE-1,4'-PIPERIDINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS SA (ES) | 2019-07-03 | — | — | EP | disclosed |