Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 5/20 | 0.33 |
| ▸ | ACACB | O00763 | 6/20 | 0.32 |
| ▸ | EGLN1 | Q9GZT9 | 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 | |
|---|---|---|---|---|
| SCHEMBL6795740 | 0.76 | SOST (0.50) | GRM5ACACB | |
| SCHEMBL25234028 | 0.72 | MMP2 (0.41) | CYP2A6CYP2B6CYP2C19CYP1A2CYP2E1 | |
| SCHEMBL25239210 | 0.72 | MMP2 (0.41) | CYP2A6CYP2B6CYP2C19CYP1A2CYP2E1 | |
| SCHEMBL6794932 | 0.70 | PTPN11 (0.58) | ACACB | |
| SCHEMBL6790694 | 0.67 | L3MBTL1 (0.46) | ACACB | |
| SCHEMBL30463958 | 0.67 | PTPN11 (0.54) | ACACB | |
| SCHEMBL30463945 | 0.67 | PTPN11 (0.54) | ACACB | |
| SCHEMBL5740851 | 0.65 | MAPT (0.41) | CYP2A6CYP2B6CYP2C19CYP1A2CYP2E1 | |
| Hydrochloric Acid SCHEMBL25233280 | 0.65 | CYP2A6 (0.57) | CYP2A6CYP2B6CYP2C19CYP1A2CYP2E1 | |
| Hydrochloric Acid SCHEMBL25232241 | 0.65 | CYP2A6 (0.57) | CYP2A6CYP2B6CYP2C19CYP1A2CYP2E1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6706885-B2 | HYDROGENATION OF PROTECTED 2,5-DI-(3'-AMINOPROP-1-YNYL) PYRIDINES AND DEPROTECTING TO FORM 2,5-DI-(3'-AMINOPROPYL)-PYRIDINES | MERCK & CO., INC. | 2004-03-16 | — | — | US | disclosed |
| US-20030004353-A1 | Process for preparing integrin antagonist intermediates | MERCK SHARP & DOHME CORP. | 2003-01-02 | — | — | US | 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-20030004353-A1 | Process for preparing integrin antagonist intermediates | ITGA5, ITGAV, ITGA2 | CYP2A6 1881/4885CYP2B6 1141/4885CYP2C19 1257/4885 |
“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.