Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 13/20 | 0.59 |
| ▸ | ITGA5 | P08648 | 4/20 | 0.59 |
| ▸ | ITGA4 | P13612 | 6/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | ITGB7 | P26010 | 3/20 | 0.54 |
| ▸ | ITGAV | P06756 | 5/20 | 0.53 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.48 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.48 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.47 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL630186 | 0.91 | ITGB1 (0.56) | ITGB1ITGA5ITGA4POLBITGB7 | |
| SCHEMBL630187 | 0.91 | ITGB1 (0.56) | ITGB1ITGA5ITGA4POLBITGB7 | |
| SCHEMBL6368195 | 0.90 | ITGB1 (0.64) | ITGB1ITGA5ITGA4ITGB7ITGAV | |
| SCHEMBL5172120 | 0.89 | ITGB1 (0.55) | ITGB1ITGA5ITGA4POLBITGB7 | |
| SCHEMBL630086 | 0.88 | POLB (0.56) | ITGB1ITGA5ITGA4POLBITGB7 | |
| SCHEMBL630087 | 0.88 | POLB (0.56) | ITGB1ITGA5ITGA4POLBITGB7 | |
| SCHEMBL6368166 | 0.88 | ITGB1 (0.72) | ITGB1ITGA5ITGA4ITGB7ITGAV | |
| SCHEMBL629837 | 0.88 | KCNQ1 (0.62) | ITGB1ITGA5ITGA4POLBITGB7 | |
| SCHEMBL630658 | 0.88 | ITGB1 (0.53) | ITGB1ITGA5ITGA4POLBITGB7 | |
| SCHEMBL629838 | 0.88 | KCNQ1 (0.62) | ITGB1ITGA5ITGA4POLBITGB7 |
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-1001764-A4 | HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS | MERCK & CO INC (US) | 2005-08-24 | — | — | EP | claimed |
| US-6903075-B1 | Heterocyclic amide compounds as cell adhesion inhibitors | MERCK & CO., INC. (US) | 2005-06-07 | — | — | US | claimed |
| JP-2002512625-A | — | — | 2002-04-23 | — | — | JP | claimed |
| EP-1001764-A1 | HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS | Merck & Co., Inc. (a New Jersey corp.) (US) | 2000-05-24 | — | — | EP | claimed |
| WO-1999064395-A1 | HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 1999-12-16 | — | — | WO | claimed |
| WO-1998053814-A1 | HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 1998-12-03 | — | — | WO | claimed |