Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.65 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.65 |
| ▸ | RECQL | P46063 | 1/20 | 0.65 |
| ▸ | PANK3 | Q9H999 | 1/20 | 0.57 |
| ▸ | HTR1A | P08908 | 2/20 | 0.57 |
| ▸ | HTR7 | P34969 | 2/20 | 0.57 |
| ▸ | HTR2A | P28223 | 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 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL3557709 | 1.00 | LMNA (0.65) | LMNANPSR1TSHRMAPK1RECQL | |
| Hydrochloric Acid SCHEMBL6987067 | 0.85 | LMNA (0.59) | LMNANPSR1TSHRMAPK1RECQL | |
| SCHEMBL13136128 | 0.84 | LMNA (0.66) | LMNANPSR1TSHRMAPK1RECQL | |
| SCHEMBL13404663 | 0.80 | MAPK1 (0.46) | LMNANPSR1TSHRMAPK1RECQL | |
| SCHEMBL3560927 | 0.80 | MAPK1 (0.46) | LMNANPSR1TSHRMAPK1RECQL | |
| SCHEMBL7069253 | 0.79 | LMNA (0.55) | LMNANPSR1TSHRMAPK1RECQL | |
| SCHEMBL7069249 | 0.79 | LMNA (0.55) | LMNANPSR1TSHRMAPK1RECQL | |
| SCHEMBL13438555 | 0.78 | PDK2 (0.45) | LMNANPSR1TSHRMAPK1RECQL | |
| SCHEMBL3561020 | 0.78 | GAA (0.45) | LMNANPSR1TSHRMAPK1RECQL | |
| SCHEMBL3561025 | 0.78 | GAA (0.45) | LMNANPSR1TSHRMAPK1RECQL |
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 5 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-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 |
| 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 | LMNA 2306/4885NPSR1 244/4885TSHR 2720/4885 |
“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.