Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 8/20 | 0.44 |
| ▸ | ITGA4 | P13612 | 8/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PTGES | O14684 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.37 |
| ▸ | PLAT | P00750 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5850823 | 0.95 | ITGB1 (0.42) | ITGB1ITGA4ATML3MBTL1ITGB7 | |
| SCHEMBL5850545 | 0.93 | ITGB1 (0.52) | ITGB1ITGA4ITGB7PTGESTDP1 | |
| SCHEMBL5850329 | 0.92 | ITGB1 (0.41) | ITGB1ITGA4ATML3MBTL1ITGB7 | |
| SCHEMBL5851039 | 0.88 | ATM (0.55) | ITGB1ITGA4ATML3MBTL1ITGB7 | |
| SCHEMBL7409938 | 0.86 | ATM (0.55) | ITGB1ITGA4ATML3MBTL1ITGB7 | |
| SCHEMBL5852314 | 0.82 | ITGB1 (0.40) | ITGB1ITGA4ATML3MBTL1ITGB7 | |
| SCHEMBL5850857 | 0.80 | ITGB1 (0.64) | ITGB1ITGA4ITGB7ALDH1A1TDP1 | |
| SCHEMBL5850678 | 0.80 | USP30 (0.44) | ITGB1ITGA4NPSR1KMT2AALDH1A1 | |
| SCHEMBL5851025 | 0.79 | CA1 (0.45) | ITGB1ITGA4ATML3MBTL1ITGB7 | |
| SCHEMBL7401948 | 0.78 | ITGB1 (0.61) | ITGB1ITGA4ITGB7ALDH1A1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0994895-A1 | DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-04-26 | — | — | EP | claimed |
| WO-1999006435-A1 | DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 1999-02-11 | — | — | WO | claimed |
| US-7030114-B1 | Compounds which inhibit leukocyte adhesion mediated by VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2006-04-18 | — | — | US | disclosed |
| EP-0994895-A1 | DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-04-26 | — | — | EP | disclosed |
| WO-1999006435-A1 | DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 1999-02-11 | — | — | WO | disclosed |