Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.39 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.39 |
| ▸ | USP30 | Q70CQ3 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.37 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.37 |
| ▸ | FLT3 | P36888 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5852341 | 0.87 | PTPN2 (0.48) | ALDH1A1LMNAMEN1KMT2ATRPV1 | |
| SCHEMBL5690624 | 0.78 | MAPK1 (0.56) | ALDH1A1SMN1; SMN2KMT2AITGB1ITGA4 | |
| SCHEMBL5850976 | 0.76 | ITGB1 (0.47) | ALDH1A1NPSR1ENPP3ENPP1ENPP2 | |
| SCHEMBL5690361 | 0.74 | ENPP3 (0.39) | ALDH1A1NPSR1ENPP3ENPP1ENPP2 | |
| SCHEMBL5850463 | 0.73 | PTPN2 (0.46) | ALDH1A1LMNAMEN1KMT2ATRPV1 | |
| SCHEMBL5690619 | 0.73 | TRPV1 (0.39) | ALDH1A1NPSR1ENPP3ENPP1ENPP2 | |
| SCHEMBL5690726 | 0.72 | ITGA4 (0.56) | ALDH1A1KMT2AITGB1ITGA4 | |
| SCHEMBL5850836 | 0.72 | MAPT (0.45) | ALDH1A1NPSR1CA2CA9LMNA | |
| SCHEMBL5850973 | 0.71 | CA1 (0.51) | ALDH1A1NPSR1CA12CA1CA2 | |
| SCHEMBL5690604 | 0.71 | ENPP2 (0.48) | ALDH1A1ENPP2USP30HTTSMN1; SMN2 |
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 |