Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 5/20 | 0.43 |
| ▸ | HTR2C | P28335 | 2/20 | 0.43 |
| ▸ | HTR7 | P34969 | 2/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 2/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL6663655 | 0.82 | HSD11B1 (0.51) | HRH3HSD11B1 | |
| Hydrochloric Acid SCHEMBL6662530 | 0.81 | HRH3 (0.52) | HRH3PARP1 | |
| Hydrochloric Acid SCHEMBL6684984 | 0.79 | CACNA2D1 (0.52) | HRH3HTR7 | |
| Hydrochloric Acid SCHEMBL6656434 | 0.75 | L3MBTL1 (0.50) | HRH3 | |
| SCHEMBL6229667 | 0.71 | HTR2A (0.56) | CYP2D6HTR2AHTR2CHTR7HTR6 | |
| SCHEMBL27943832 | 0.70 | HTR2A (0.55) | CYP2D6HTR2AHTR2CHTR7HSD11B1 | |
| Hydrochloric Acid SCHEMBL6658313 | 0.70 | PARP1 (0.38) | HRH3CYP2D6HSD11B1PARP1SLC6A2 | |
| SCHEMBL6657235 | 0.70 | HRH3 (0.44) | HRH3PARP1 | |
| SCHEMBL6663012 | 0.69 | HRH3 (0.55) | HRH3PARP1 | |
| Hydrochloric Acid SCHEMBL7512052 | 0.69 | CACNA2D1 (0.53) | HRH3CYP2D6SLC6A2 |
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 |