Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.45 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD5 | P21918 | 1/20 | 0.43 |
| ▸ | HRH2 | P25021 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6977659 | 0.94 | L3MBTL1 (0.45) | NPC1RAB9ASIGMAR1ALDH1A1MAPT | |
| SCHEMBL6983252 | 0.86 | CACNA1B (0.36) | CACNA1FDRD1DRD4DRD5HRH2 | |
| SCHEMBL8578232 | 0.86 | SIGMAR1 (0.46) | SIGMAR1POLB | |
| Hydrochloric Acid SCHEMBL6984012 | 0.85 | SIGMAR1 (0.45) | SIGMAR1ALDH1A1NPSR1POLB | |
| SCHEMBL6981079 | 0.80 | HRH3 (0.40) | SIGMAR1OPRK1 | |
| SCHEMBL6975998 | 0.80 | TSHR (0.44) | OPRK1ALDH1A1CYP2C19HTTNPSR1 | |
| SCHEMBL6981931 | 0.80 | HRH3 (0.39) | SIGMAR1 | |
| SCHEMBL6976497 | 0.78 | CARM1 (0.42) | — | |
| SCHEMBL6983492 | 0.77 | CHRNA7 (0.40) | SIGMAR1DRD4HTR7DRD3ALDH1A1 | |
| SCHEMBL6984706 | 0.77 | ALDH1A1 (0.40) | ALDH1A1KDM4EPOLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0923575-B1 | CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-03-12 | — | — | EP | disclosed |
| US-6172085-B1 | CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-01-09 | — | — | US | disclosed |