Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 16/20 | 0.68 |
| ▸ | ITGAV | P06756 | 16/20 | 0.68 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.55 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.55 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.55 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.55 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.55 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.55 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.55 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.55 |
| ▸ | ITGB5 | P18084 | 3/20 | 0.53 |
| ▸ | ITGB6 | P18564 | 2/20 | 0.53 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL4717622 | 1.00 | ITGB3 (0.68) | ITGB3ITGAVITGA2BHDAC3HDAC4 | |
| SCHEMBL2037116 | 0.98 | ITGB3 (0.70) | ITGB3ITGAVITGA2BHDAC3HDAC4 | |
| SCHEMBL4394126 | 0.94 | ITGB3 (0.64) | ITGB3ITGAVITGA2BHDAC3HDAC4 | |
| SCHEMBL243759 | 0.87 | ITGB3 (0.63) | ITGB3ITGAVHDAC3HDAC4HDAC1 | |
| Hydrochloric Acid SCHEMBL14914649 | 0.85 | ITGB3 (0.61) | ITGB3ITGAVHDAC3HDAC4HDAC1 | |
| SCHEMBL15714332 | 0.85 | HDAC1 (0.74) | ITGB3ITGAVITGA2BHDAC3HDAC4 | |
| SCHEMBL9644591 | 0.85 | CYP1A2 (0.63) | ITGB3ITGAV | |
| SCHEMBL10858528 | 0.85 | CYP1A2 (0.63) | ITGB3ITGAV | |
| SCHEMBL10861718 | 0.83 | CYP1A2 (0.66) | ITGB3ITGAV | |
| SCHEMBL30446097 | 0.83 | ITGB3 (0.73) | ITGB3ITGAVITGA2BHDAC3HDAC4 |
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 |
|---|---|---|---|---|---|---|---|
| US-7632951-B2 | Inhibitors of integrin ανβ6 | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2009-12-15 | — | — | US | disclosed |
| EP-1377540-B1 | INHIBITORS OF INTEGRIN ALPHA-V-BETA-6 | MERCK PATENT GMBH (DE) | 2008-12-03 | — | — | EP | disclosed |
| US-20040092454-A1 | Inhibitors of integrin alphavbeta6 | MERCK PATENT GMBH (DE) | 2004-05-13 | — | — | US | disclosed |
| EP-1377540-A1 | INHIBITORS OF INTEGRIN AvB6 | MERCK PATENT GmbH (DE) | 2004-01-07 | — | — | EP | disclosed |
| WO-2002074730-A1 | INHIBITORS OF INTEGRIN αvβ¿6? | MERCK PATENT GMBH (DE) | 2002-09-26 | — | — | 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-20040092454-A1 | Inhibitors of integrin alphavbeta6 | ITGB6, ITGB1, ITGA1 | ITGB3 8/4885ITGAV 7/4885ITGA2B 10/4885 |
“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.