Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 3/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.34 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | AKT2 | P31751 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24631082 | 0.85 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3HRH3CYP1A2 | |
| SCHEMBL6478654 | 0.83 | CYP2A6 (0.50) | CYP2A6HRH1HRH3CYP1A2CYP2D6 | |
| SCHEMBL7094583 | 0.80 | HRH1 (0.50) | CYP2A6HRH1HRH3CYP1A2CYP2D6 | |
| SCHEMBL26501103 | 0.77 | HRH3 (0.37) | HRH3CYP1A2CYP2D6 | |
| SCHEMBL9520659 | 0.76 | HRH3 (0.38) | HRH3CYP1A2CYP2D6 | |
| SCHEMBL9520662 | 0.76 | HRH3 (0.38) | HRH3CYP1A2CYP2D6 | |
| SCHEMBL7548214 | 0.76 | HSD17B10 (0.44) | — | |
| SCHEMBL18858543 | 0.74 | HRH3 (0.40) | HRH3CYP1A2CYP2D6 | |
| SCHEMBL5040770 | 0.73 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6562985 | 0.72 | HRH1 (0.48) | CYP2A6HRH1SLC6A2SLC6A3HRH3 |
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-1252162-B1 | ALPHA V INTEGRIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2012-07-25 | — | — | EP | disclosed |
| EP-1252162-A4 | ALPHA V INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2003-06-11 | — | — | EP | disclosed |
| EP-1252162-A1 | ALPHA V INTEGRIN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2002-10-30 | — | — | EP | disclosed |
| US-6472403-B2 | IMIDAZOLIDIN-2-ONE DERIVATIVES; INHIBITING BONE RESORPTION, VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION, ARTHRITIS, VIRAL DISEASE, CANCER AND METASTATIC TUMOR GROWTH | MERCK & CO., INC. | 2002-10-29 | — | — | US | disclosed |
| US-20020037889-A1 | Alpha V integrin receptor antagonists | MERCK SHARP & DOHME CORP. | 2002-03-28 | — | — | US | disclosed |
| WO-2001053297-A1 | ALPHA V INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2001-07-26 | — | — | 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-20020037889-A1 | Alpha V integrin receptor antagonists | ITGAV, ITGB3, ITGA5 | CYP2A6 4074/4885HRH1 859/4885SLC6A2 4695/4885 |
“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.