Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 10/20 | 0.41 |
| ▸ | ITGB1 | P05556 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | PYGL | P06737 | 2/20 | 0.36 |
| ▸ | CTSD | P07339 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL6207924 | 0.94 | ITGA4 (0.37) | ITGA4ITGB1GAAGFERCTSD | |
| SCHEMBL5156521 | 0.81 | ITGA4 (0.45) | ITGA4ITGB1GAAPYGL | |
| SCHEMBL6543079 | 0.81 | RAB9A (0.38) | GAAPYGLNPC1RAB9A | |
| SCHEMBL5157169 | 0.77 | ITGA4 (0.47) | ITGA4ITGB1GAAGFERRAB9A | |
| SCHEMBL14558372 | 0.75 | ITGA4 (0.55) | ITGA4ITGB1 | |
| SCHEMBL5150189 | 0.75 | MEN1 (0.38) | GAAPYGLRAB9AKDM4E | |
| SCHEMBL6273679 | 0.74 | ITGA4 (0.47) | ITGA4ITGB1GAAPYGL | |
| SCHEMBL5151670 | 0.74 | ITGA4 (0.52) | ITGA4ITGB1GAA | |
| SCHEMBL5150111 | 0.73 | ITGA4 (0.46) | ITGA4ITGB1PYGLRAB9A | |
| SCHEMBL6208698 | 0.73 | ITGA4 (0.46) | ITGA4ITGB1PYGLRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1189612-A4 | VLA-4 INHIBITOR COMPOUNDS | DAIICHI SEIYAKU CO (JP) | 2005-02-16 | — | — | EP | 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 |