Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 10/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.41 |
| ▸ | QDPR | P09417 | 1/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.38 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL5584603 | 0.90 | HTR2C (0.66) | HTR2CSLC18A3SIGMAR1QDPRTLR9 | |
| Hydrochloric Acid SCHEMBL4881791 | 0.88 | HTR2C (0.67) | HTR2CSLC18A3SIGMAR1QDPRTLR9 | |
| SCHEMBL27830968 | 0.79 | HTR2C (0.52) | HTR2C | |
| SCHEMBL26407764 | 0.78 | HTR2C (0.56) | HTR2CSLC18A3SIGMAR1QDPRTLR9 | |
| SCHEMBL26407761 | 0.78 | HTR2C (0.56) | HTR2CSLC18A3SIGMAR1QDPRTLR9 | |
| SCHEMBL24067500 | 0.77 | SLC18A3 (0.64) | HTR2CSLC18A3SIGMAR1HRH4QDPR | |
| SCHEMBL27943033 | 0.77 | HTR2C (0.55) | HTR2CALDH1A1TSHRSLC18A3SIGMAR1 | |
| SCHEMBL24124003 | 0.75 | HTR2C (0.53) | HTR2CSLC18A3SIGMAR1QDPRTLR9 | |
| SCHEMBL24123875 | 0.75 | HTR2C (0.61) | HTR2CSLC18A3SIGMAR1QDPRTLR9 | |
| SCHEMBL16954865 | 0.75 | HTR2C (0.43) | HTR2CALDH1A1TSHR |
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-3302465-A1 | TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES | Vertex Pharmaceuticals Incorporated (US) | 2018-04-11 | — | — | EP | disclosed |
| WO-2016197009-A1 | TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-12-08 | — | — | WO | disclosed |