Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | HTR1A | P08908 | 1/20 | 0.57 |
| ▸ | HTR2A | P28223 | 1/20 | 0.57 |
| ▸ | HTR7 | P34969 | 1/20 | 0.57 |
| ▸ | HTR6 | P50406 | 1/20 | 0.57 |
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | RECQL | P46063 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | PANK3 | Q9H999 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL15286390 | 0.87 | MAPT (0.52) | ALDH1A1MAPK1LMNATSHRNPSR1 | |
| SCHEMBL3558471 | 0.81 | MAPT (0.51) | ALDH1A1MEN1KMT2AMAPK1LMNA | |
| SCHEMBL13404662 | 0.80 | GAA (0.46) | ALDH1A1MAPK1LMNATSHRNPSR1 | |
| SCHEMBL5237873 | 0.80 | ALDH1A1 (0.58) | ALDH1A1HTR1AHTR2AHTR7HTR6 | |
| SCHEMBL1985044 | 0.79 | ALDH1A1 (0.41) | ALDH1A1MAPK1LMNATSHRNPSR1 | |
| SCHEMBL5274074 | 0.79 | MAPT (0.74) | ALDH1A1KMT2AMAPK1LMNATSHR | |
| SCHEMBL5245356 | 0.79 | MAPT (0.53) | ALDH1A1MEN1KMT2AMAPK1LMNA | |
| SCHEMBL13136128 | 0.78 | LMNA (0.66) | ALDH1A1HTR1AHTR2AHTR7HTR6 | |
| SCHEMBL1458945 | 0.77 | MAPT (0.63) | ALDH1A1HTR1AHTR2AHTR7HTR6 | |
| SCHEMBL30208156 | 0.77 | MAPT (0.63) | ALDH1A1HTR1AHTR2AHTR7HTR6 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7705002-B2 | Biaryls useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-04-27 | — | — | US | disclosed |
| US-7705002-B2 | Biaryls useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-04-27 | — | — | US | disclosed |
| US-7705002-B2 | Biaryls useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-04-27 | — | — | US | disclosed |
| US-20080090837-A1 | Na channel and Ca channel antagonists; potentiation; side effects reduction; pains, epilepsy, neurodegenerative disorders, psychiatric disorders,movement disorders, neuroendocrine disorders etc.; 2-hydroxy-1-[4-[3-(2-hydroxyphenyl)phenyl]piperazin-1-yl]-4-methyl-pentan-1-one; | VERTEX PHARMACEUTICALS INCORPORATED | 2008-04-17 | — | — | US | disclosed |
| US-20080090837-A1 | Na channel and Ca channel antagonists; potentiation; side effects reduction; pains, epilepsy, neurodegenerative disorders, psychiatric disorders,movement disorders, neuroendocrine disorders etc.; 2-hydroxy-1-[4-[3-(2-hydroxyphenyl)phenyl]piperazin-1-yl]-4-methyl-pentan-1-one; | VERTEX PHARMACEUTICALS INCORPORATED | 2008-04-17 | — | — | US | disclosed |
| US-20080090837-A1 | Na channel and Ca channel antagonists; potentiation; side effects reduction; pains, epilepsy, neurodegenerative disorders, psychiatric disorders,movement disorders, neuroendocrine disorders etc.; 2-hydroxy-1-[4-[3-(2-hydroxyphenyl)phenyl]piperazin-1-yl]-4-methyl-pentan-1-one; | VERTEX PHARMACEUTICALS INCORPORATED | 2008-04-17 | — | — | US | disclosed |
| EP-1888549-A2 | BIARYLS USEFUL AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals, Inc. (US) | 2008-02-20 | — | — | EP | disclosed |
| WO-2006124865-A2 | BIARYLS DERIVATIVES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-11-23 | — | — | WO | disclosed |
| WO-2006124865-A2 | BIARYLS DERIVATIVES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-11-23 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080090837-A1 | Na channel and Ca channel antagonists; potentiation; side effects reduction; pains, epilepsy, neurodegenerative disorders, psychiatric disorders,movement disorders, neuroendocrine disorders etc.; 2-hydroxy-1-[4-[3-(2-hydroxyphenyl)phenyl]piperazin-1-yl]-4-methyl-pentan-1-one; | CACNA1B, SCN1A, CACNA1S | ALDH1A1 1549/4885HTR1A 84/4885HTR2A 140/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.