Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 8/20 | 0.69 |
| ▸ | CHRM4 | P08173 | 5/20 | 0.69 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.68 |
| ▸ | CTSK | P43235 | 1/20 | 0.59 |
| ▸ | DRD2 | P14416 | 3/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 3/20 | 0.51 |
| ▸ | HTR2C | P28335 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
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 SCHEMBL9393283 | 0.99 | HTR7 (0.68) | HTR7CHRM4GRIN2BCTSKDRD2 | |
| SCHEMBL8683890 | 0.87 | HTR7 (0.55) | HTR7CHRM4GRIN2BCTSKDRD2 | |
| Hydrochloric Acid SCHEMBL8684071 | 0.86 | HTR2B (0.58) | HTR7CHRM4GRIN2BDRD2HTR2A | |
| Hydrochloric Acid SCHEMBL8684280 | 0.86 | HTR2B (0.58) | HTR7CHRM4GRIN2BDRD2HTR2A | |
| SCHEMBL8906099 | 0.86 | HTR7 (0.64) | HTR7CHRM4GRIN2BCTSKDRD2 | |
| Hydrochloric Acid SCHEMBL8938691 | 0.85 | HTR2A (0.56) | HTR7CHRM4GRIN2BDRD2HTR2A | |
| SCHEMBL8685840 | 0.85 | HTR7 (0.52) | HTR7CHRM4GRIN2BCTSKDRD2 | |
| SCHEMBL8907199 | 0.85 | HTR7 (0.63) | HTR7CHRM4GRIN2BCTSKDRD2 | |
| Hydrochloric Acid SCHEMBL7818446 | 0.85 | HTR7 (0.54) | HTR7CHRM4GRIN2BCTSKDRD2 | |
| SCHEMBL8938572 | 0.85 | HTR7 (0.54) | HTR7CHRM4GRIN2BDRD2HTR2A |
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-1389194-A2 | INHIBITORS OF BACE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-02-18 | — | — | EP | disclosed |
| WO-2002088101-A2 | INHIBITORS OF BACE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-11-07 | — | — | WO | disclosed |