Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 4/20 | 0.39 |
| ▸ | ITGB1 | P05556 | 3/20 | 0.39 |
| ▸ | ACACB | O00763 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 3/20 | 0.37 |
| ▸ | HTR2C | P28335 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 2/20 | 0.36 |
| ▸ | CCR3 | P51677 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5852314 | 0.95 | ITGB1 (0.40) | ITGA4ITGB1ACACBALDH1A1ITGB7 | |
| SCHEMBL5850607 | 0.92 | ITGA4 (0.47) | ITGA4ITGB1ACACBALDH1A1ITGB7 | |
| SCHEMBL5850823 | 0.83 | ITGB1 (0.42) | ITGA4ITGB1ITGB7NPSR1L3MBTL1 | |
| SCHEMBL5851039 | 0.78 | ATM (0.55) | ITGA4ITGB1ALDH1A1ITGB7L3MBTL1 | |
| SCHEMBL5850641 | 0.78 | ITGB1 (0.44) | ITGA4ITGB1ALDH1A1ITGB7NPSR1 | |
| SCHEMBL7409938 | 0.76 | ATM (0.55) | ITGA4ITGB1ALDH1A1ITGB7NPSR1 | |
| SCHEMBL5850926 | 0.76 | ALDH1A1 (0.45) | ITGA4ITGB1ALDH1A1TP53ALOX15 | |
| SCHEMBL5850329 | 0.75 | ITGB1 (0.41) | ITGA4ITGB1ITGB7L3MBTL1 | |
| SCHEMBL5850545 | 0.75 | ITGB1 (0.52) | ITGA4ITGB1ITGB7 | |
| SCHEMBL5850857 | 0.74 | ITGB1 (0.64) | ITGA4ITGB1ALDH1A1ITGB7 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |