Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 14/20 | 0.45 |
| ▸ | ITGB1 | P05556 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | PYGL | P06737 | 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 | |
|---|---|---|---|---|
| SCHEMBL6273679 | 0.93 | ITGA4 (0.47) | ITGA4ITGB1SMN1; SMN2GAAMAPK1 | |
| SCHEMBL5150111 | 0.91 | ITGA4 (0.46) | ITGA4ITGB1SMN1; SMN2IDO1PYGL | |
| SCHEMBL6208698 | 0.91 | ITGA4 (0.46) | ITGA4ITGB1SMN1; SMN2IDO1PYGL | |
| SCHEMBL5156521 | 0.91 | ITGA4 (0.45) | ITGA4ITGB1SMN1; SMN2GAAMAPK1 | |
| SCHEMBL5151670 | 0.89 | ITGA4 (0.52) | ITGA4ITGB1SMN1; SMN2GAAMEN1 | |
| SCHEMBL5152611 | 0.89 | MAPT (0.44) | ITGA4ITGB1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL5151944 | 0.84 | ITGA4 (0.46) | ITGA4ITGB1GAAMEN1KMT2A | |
| SCHEMBL6212481 | 0.84 | ITGA4 (0.46) | ITGA4ITGB1GAAMEN1KMT2A | |
| SCHEMBL5182974 | 0.83 | ITGA4 (0.42) | ITGA4ITGB1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL5150188 | 0.82 | ITGB1 (0.40) | ITGA4ITGB1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1189612-A4 | VLA-4 INHIBITOR COMPOUNDS | DAIICHI SEIYAKU CO (JP) | 2005-02-16 | — | — | EP | disclosed |
| US-6756378-B2 | BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) | PHARMACOPEIA DRUG DISCOVERY, INC. | 2004-06-29 | — | — | US | disclosed |
| EP-1189612-A1 | VLA-4 INHIBITOR COMPOUNDS | Daiichi Pharmaceutical Co., Ltd. (JP) | 2002-03-27 | — | — | EP | disclosed |
| WO-2001000206-A1 | VLA-4 INHIBITOR COMPOUNDS | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2001-01-04 | — | — | WO | disclosed |