Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.49 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.49 |
| ▸ | HTR2B | P41595 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6908915 | 1.00 | TACR3 (0.55) | TACR3CYP2C9CYP2C19MAPK14HTR2B | |
| SCHEMBL6908737 | 0.93 | CYP2C9 (0.54) | CYP2C9CYP2C19MAPK14HTR2BALDH1A1 | |
| SCHEMBL6656996 | 0.93 | CYP2C9 (0.54) | CYP2C9CYP2C19MAPK14HTR2BALDH1A1 | |
| Hydrochloric Acid SCHEMBL6910059 | 0.88 | CYP2C9 (0.54) | CYP2C9CYP2C19MAPK14HTR2BALDH1A1 | |
| Hydrochloric Acid SCHEMBL6657440 | 0.88 | CYP2C9 (0.54) | CYP2C9CYP2C19MAPK14HTR2BALDH1A1 | |
| Hydrochloric Acid SCHEMBL6662534 | 0.81 | OPRM1 (0.44) | CYP2C9CYP2C19MAPK14ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6662527 | 0.81 | OPRM1 (0.44) | CYP2C9CYP2C19MAPK14ALDH1A1 | |
| SCHEMBL6663904 | 0.79 | KMT2A (0.57) | CYP2C9ALDH1A1L3MBTL1SMN1; SMN2MCHR1 | |
| SCHEMBL6905958 | 0.79 | KMT2A (0.57) | CYP2C9ALDH1A1L3MBTL1SMN1; SMN2MCHR1 | |
| SCHEMBL6660026 | 0.78 | MCHR1 (0.54) | TACR3CYP2C9CYP2C19MAPK14HTR2B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1441728-A2 | MODULATORS OF THE CHOLESTEROL BIOSYNTHETIC PATHWAY | Vertex Pharmaceuticals Incorporated (US) | 2004-08-04 | — | — | EP | disclosed |
| WO-2003037338-A2 | MODULATORS OF THE CHOLESTEROL BIOSYNTHETIC PATHWAY | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-05-08 | — | — | WO | disclosed |
| EP-1257544-A2 | PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE | Vertex Pharmaceuticals Incorporated (US) | 2002-11-20 | — | — | EP | disclosed |
| WO-2001058891-A2 | PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2001-08-16 | — | — | WO | disclosed |