Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CACNA2D1 | P54289 | 7/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 2/20 | 0.37 |
| ▸ | APP | P05067 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | RAD52 | P43351 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3887726 | 0.74 | CACNA2D1 (0.41) | KDM4EALDH1A1HPGDGAACACNA2D1 | |
| SCHEMBL12386870 | 0.68 | KDM4E (0.50) | KDM4EALDH1A1HPGDGAACACNA2D1 | |
| SCHEMBL28241436 | 0.68 | KDM4E (0.55) | KDM4EALDH1A1HPGDGAACACNA2D1 | |
| SCHEMBL6266749 | 0.67 | KDM4E (0.53) | KDM4EALDH1A1HPGDGAACACNA2D1 | |
| SCHEMBL17423904 | 0.66 | KDM4E (0.50) | KDM4EALDH1A1HPGDGAAKCNH2 | |
| SCHEMBL1102408 | 0.66 | KDM4E (0.50) | KDM4EALDH1A1HPGDGAAKCNH2 | |
| SCHEMBL476972 | 0.65 | KDM4E (0.52) | KDM4EALDH1A1HPGDGAACACNA2D1 | |
| SCHEMBL28232527 | 0.65 | KDM4E (0.52) | KDM4EALDH1A1HPGDGAACACNA2D1 | |
| SCHEMBL4777093 | 0.65 | CACNA2D1 (0.52) | CACNA2D1 | |
| SCHEMBL17423155 | 0.64 | KDM4E (0.50) | KDM4EALDH1A1HPGDGAACACNA2D1 |
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-1687275-A4 | PYRIDIN-4-YLAMINE COMPOUNDS USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN | MERCK & CO INC (US) | 2009-01-14 | — | — | EP | disclosed |
| US-20070099950-A1 | Pyridin-4-ylamine compounds useful in the treatment of neuropathic pain | AGT SCIENCE LIMITED (GB) | 2007-05-03 | — | — | US | disclosed |
| EP-1687275-A1 | PYRIDIN-4-YLAMINE COMPOUNDS USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN | Merck & Co., Inc. (US) | 2006-08-09 | — | — | EP | disclosed |
| WO-2005051915-A1 | PYRIDIN-4-YLAMINE COMPOUNDS USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN | MERCK & CO., INC. (US) | 2005-06-09 | — | — | 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-20070099950-A1 | Pyridin-4-ylamine compounds useful in the treatment of neuropathic pain | PER2, CNR2, OPRD1 | KDM4E 699/4885ALDH1A1 2085/4885HPGD 2673/4885 |
“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.