Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7080591 | 0.79 | CYP2A6 (0.49) | CYP2A6KCNH2CYP2C19ALDH1A1GLA | |
| SCHEMBL8136691 | 0.78 | CYP2A6 (0.61) | CYP2A6KCNH2CYP2C19ALDH1A1PYCR1 | |
| SCHEMBL15662541 | 0.77 | CYP2A6 (0.51) | CYP2A6KCNH2CYP2C19ALDH1A1GLA | |
| SCHEMBL12203969 | 0.77 | KCNH2 (0.65) | CYP2A6KCNH2CYP2C19ALDH1A1GLA | |
| SCHEMBL5958140 | 0.76 | NPSR1 (0.39) | KCNH2CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL6318680 | 0.75 | APP (0.52) | CYP2A6KCNH2CYP2C19ALDH1A1GLA | |
| SCHEMBL1239417 | 0.75 | PYCR1 (0.56) | CYP2A6KCNH2CYP2C19ALDH1A1GLA | |
| SCHEMBL11947284 | 0.75 | CYP2A6 (0.49) | CYP2A6KCNH2CYP2C19ALDH1A1GLA | |
| SCHEMBL8728334 | 0.74 | GABRP (0.41) | KCNH2CYP2C19CHRNB2CHRNA4HRH3 | |
| SCHEMBL13849618 | 0.73 | KCNH2 (0.47) | CYP2A6KCNH2CYP2C19ALDH1A1GLA |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2456435-B1 | HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE | UNIV LELAND STANFORD JUNIOR (US) | 2015-06-24 | — | — | EP | claimed |
| US-20120225862-A1 | HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE | AUCKLAND UNIVSERVICES LIMITED (NZ) | 2012-09-06 | — | — | US | claimed |
| EP-2456435-A1 | HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE | The Board of Trustees of The Leland Stanford Junior University (US) | 2012-05-30 | — | — | EP | claimed |
| WO-2011011514-A1 | HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2011-01-27 | — | — | WO | claimed |
| EP-2456435-B1 | HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE | UNIV LELAND STANFORD JUNIOR (US) | 2015-06-24 | — | — | EP | disclosed |
| US-20120225862-A1 | HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE | AUCKLAND UNIVSERVICES LIMITED (NZ) | 2012-09-06 | — | — | US | disclosed |
| EP-2456435-A1 | HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE | The Board of Trustees of The Leland Stanford Junior University (US) | 2012-05-30 | — | — | EP | disclosed |
| WO-2011011514-A1 | HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2011-01-27 | — | — | WO | disclosed |
| US-6333336-B1 | GAMMA-AMINOBUTYRIC ACID RECEPTORS AS ANTICONVULSANTS FORMING THE COMPOUND BY AMIDATION | MERCK SHARP & DOHME LTD. (GB) | 2001-12-25 | — | — | US | disclosed |
| EP-1064283-A1 | PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2001-01-03 | — | — | EP | disclosed |
| WO-1999048892-A1 | PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1999-09-30 | — | — | 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-20120225862-A1 | HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE | BRDT, NISCH, PAICS | CYP2A6 266/4885KCNH2 738/4885CYP2C19 124/4885 |
“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.