Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | SMYD2 | Q9NRG4 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.31 |
| ▸ | CTSG | P08311 | 1/20 | 0.31 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.31 |
| ▸ | CMA1 | P23946 | 1/20 | 0.31 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.30 |
| ▸ | ACACB | O00763 | 1/20 | 0.30 |
| ▸ | ACACA | Q13085 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12799226 | 0.94 | CYP3A4 (0.36) | CYP3A4HTTSMN1; SMN2SMYD2GAA | |
| SCHEMBL4264816 | 0.94 | CYP3A4 (0.38) | CYP3A4HTTSMN1; SMN2SMYD2TDP1 | |
| SCHEMBL31436999 | 0.92 | CSNK1E (0.38) | CYP3A4HTTSMN1; SMN2GAAHPGD | |
| SCHEMBL25268394 | 0.92 | SMYD2 (0.38) | CYP3A4HTTSMN1; SMN2SMYD2TDP1 | |
| SCHEMBL3860447 | 0.90 | CYP3A4 (0.36) | CYP3A4HTTSMN1; SMN2SMYD2TDP1 | |
| SCHEMBL29113327 | 0.89 | CSNK1E (0.38) | SMN1; SMN2GAAHPGDAPOBEC3GPRSS1 | |
| SCHEMBL5155697 | 0.89 | CYP3A4 (0.37) | CYP3A4HTTSMN1; SMN2SMYD2TDP1 | |
| SCHEMBL14574000 | 0.89 | CYP3A4 (0.37) | CYP3A4HTTSMN1; SMN2SMYD2TDP1 | |
| SCHEMBL13038339 | 0.86 | CSNK1E (0.38) | CYP3A4HTTSMN1; SMN2SMYD2GAA | |
| SCHEMBL13038336 | 0.86 | CSNK1E (0.38) | CYP3A4HTTSMN1; SMN2SMYD2GAA |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 | CYP3A4 1093/4885HTT 3207/4885SMN1; SMN2 2110/4885 |
“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.