Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | HTR2C | P28335 | 2/20 | 0.43 |
| ▸ | HTR2B | P41595 | 2/20 | 0.43 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.37 |
| ▸ | HHAT | Q5VTY9 | 1/20 | 0.36 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.36 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.36 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.36 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | PNMT | P11086 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10311216 | 1.00 | HTR2A (0.43) | HTR2AHTR2CHTR2BTMEM97SIGMAR1 | |
| SCHEMBL23102118 | 0.94 | ACACB (0.44) | HTR2AHTR2CHTR2BTMEM97SIGMAR1 | |
| SCHEMBL12383470 | 0.86 | HTR2A (0.41) | HTR2AHTR2CHTR2BTMEM97SIGMAR1 | |
| SCHEMBL22817021 | 0.85 | DRD1 (0.47) | ASIC3HRH3DRD2 | |
| SCHEMBL9963388 | 0.84 | ASIC3 (0.48) | HTR2AHTR2CHTR2BTMEM97SIGMAR1 | |
| SCHEMBL2632967 | 0.82 | KCNH2 (0.52) | TMEM97SIGMAR1KCNH2HTR7HRH3 | |
| SCHEMBL20756303 | 0.79 | MAOA (0.50) | HRH3NOTUM | |
| SCHEMBL2632966 | 0.79 | MAOA (0.50) | HRH3NOTUM | |
| SCHEMBL21361477 | 0.78 | HTR2A (0.44) | HTR2AHTR2CHTR2BTMEM97SIGMAR1 | |
| SCHEMBL25556244 | 0.77 | SIGMAR1 (0.39) | HTR2AHTR2CTMEM97SIGMAR1KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8163720-B2 | Pyrrolidinyl phenyl sulphonamides as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-04-24 | — | — | US | disclosed |