Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD2 | Q9NRG4 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.32 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.31 |
| ▸ | KCNH3 | Q9ULD8 | 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 | |
|---|---|---|---|---|
| SCHEMBL28946558 | 0.88 | SMYD2 (0.41) | SMYD2CYP3A4HTTSMN1; SMN2TRPA1 | |
| SCHEMBL4815429 | 0.88 | SMYD2 (0.41) | SMYD2CYP3A4HTTSMN1; SMN2TRPA1 | |
| SCHEMBL28946557 | 0.88 | SMYD2 (0.41) | SMYD2CYP3A4HTTSMN1; SMN2TRPA1 | |
| SCHEMBL13778500 | 0.87 | CYP3A4 (0.36) | SMYD2CYP3A4HTTSMN1; SMN2RIPK1 | |
| SCHEMBL4264816 | 0.87 | CYP3A4 (0.38) | SMYD2CYP3A4HTTSMN1; SMN2TRPA1 | |
| SCHEMBL28914667 | 0.87 | SMYD2 (0.35) | SMYD2CYP3A4HTTSMN1; SMN2TRPA1 | |
| SCHEMBL5155697 | 0.84 | CYP3A4 (0.37) | SMYD2CYP3A4HTTSMN1; SMN2RIPK1 | |
| SCHEMBL14574000 | 0.84 | CYP3A4 (0.37) | SMYD2CYP3A4HTTSMN1; SMN2RIPK1 | |
| SCHEMBL5468442 | 0.84 | RIPK1 (0.49) | SMYD2CYP3A4HTTSMN1; SMN2SLC6A2 | |
| SCHEMBL9295566 | 0.84 | SMYD2 (0.40) | SMYD2CYP3A4HTTSMN1; SMN2TRPA1 |
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 6 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-20080167322-A1 | Substituted Pyrazoles as Modulators of Chemokine Receptors | MERCK SHARP & DOHME CORP. | 2008-07-10 | — | — | US | disclosed |
| US-20080167322-A1 | Substituted Pyrazoles as Modulators of Chemokine Receptors | MERCK SHARP & DOHME CORP. | 2008-07-10 | — | — | 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 (2 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 | SMYD2 3280/4885CYP3A4 1093/4885HTT 3207/4885 |
| US-20080167322-A1 | Substituted Pyrazoles as Modulators of Chemokine Receptors | CCR1, CCR3, CCR2 | SMYD2 4581/4885CYP3A4 1038/4885HTT 4044/4885 |
“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.