Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.55 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.50 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.50 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.50 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.50 |
| ▸ | PARP1 | P09874 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.43 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.43 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.42 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.42 |
| ▸ | FAP | Q12884 | 1/20 | 0.42 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6684984 | 0.87 | CACNA2D1 (0.52) | HRH3CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL6657235 | 0.83 | HRH3 (0.44) | HRH3CACNA2D1CACNA1BCACNB1CACNA1C | |
| Hydrochloric Acid SCHEMBL7512052 | 0.77 | CACNA2D1 (0.53) | HRH3CACNA2D1CACNA1BCACNB1CACNA1C | |
| Hydrochloric Acid SCHEMBL6662221 | 0.76 | HRH3 (0.62) | HRH3PARP1KMT2AMEN1KDM4E | |
| Hydrochloric Acid SCHEMBL6656943 | 0.74 | HRH3 (0.58) | HRH3PARP1KMT2AMEN1MAPT | |
| SCHEMBL2250315 | 0.74 | HRH3 (0.66) | HRH3PARP1 | |
| SCHEMBL2250320 | 0.74 | HRH3 (0.66) | HRH3PARP1 | |
| SCHEMBL2250324 | 0.74 | HRH3 (0.66) | HRH3PARP1 | |
| SCHEMBL3909127 | 0.74 | HRH3 (0.64) | HRH3PARP1KMT2AMEN1OPRM1 | |
| SCHEMBL8083651 | 0.74 | SLC6A2 (0.52) | HRH3PARP1 |
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 |