Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 20/20 | 0.61 |
| ▸ | ITGA4 | P13612 | 19/20 | 0.61 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4831646 | 0.88 | ITGB1 (0.48) | ITGB1ITGA4ITGA5 | |
| Hydrochloric Acid SCHEMBL9009337 | 0.83 | CSNK1D (0.56) | ITGB1ITGA5 | |
| SCHEMBL3144746 | 0.82 | CSNK1D (0.50) | ITGB1ITGA4ITGA5 | |
| SCHEMBL4840891 | 0.78 | ITGB1 (0.61) | ITGB1ITGA4 | |
| SCHEMBL6221979 | 0.78 | ITGB1 (0.53) | ITGB1ITGA4ITGA5 | |
| SCHEMBL3260605 | 0.77 | PPARG (0.54) | ITGB1ITGA4ITGA5 | |
| SCHEMBL1596544 | 0.77 | PPARG (0.54) | ITGB1ITGA4ITGA5 | |
| SCHEMBL7866826 | 0.76 | ITGB1 (0.58) | ITGB1ITGA4 | |
| SCHEMBL9531007 | 0.76 | NPC1 (0.59) | — | |
| SCHEMBL9009399 | 0.76 | NPC1 (0.59) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040029873-A1 | Fused ring heteroaryl and heterocyclic compounds which inhibit leukocyte adhesion mediated by VLA-4 | BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) | 2004-02-12 | — | — | US | claimed |
| EP-1147091-A2 | FUSED RING HETEROARYL AND HETEROCYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2001-10-24 | — | — | EP | claimed |
| WO-2000043371-A2 | FUSED RING HETEROARYL AND HETEROCYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2000-07-27 | — | — | WO | claimed |
| US-7452912-B2 | Fused ring heteroaryl and heterocyclic compounds which inhibit leukocyte adhesion mediated by VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2008-11-18 | — | — | US | disclosed |
| US-20040029873-A1 | Fused ring heteroaryl and heterocyclic compounds which inhibit leukocyte adhesion mediated by VLA-4 | BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) | 2004-02-12 | — | — | US | disclosed |
| US-6545003-B1 | Treating asthma, Alzheimer's disease, atherosclerosis, AIDS dementia, diabetes, inflammatory bowel disease, rheumatoid arthritis, tissue transplantation, tumor metastasis and myocardial ischemia. | ELAN PHARMACEUTICALS, INC. | 2003-04-08 | — | — | US | disclosed |
| EP-1147091-A2 | FUSED RING HETEROARYL AND HETEROCYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2001-10-24 | — | — | EP | disclosed |
| WO-2000043371-A2 | FUSED RING HETEROARYL AND HETEROCYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2000-07-27 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040029873-A1 | Fused ring heteroaryl and heterocyclic compounds which inhibit leukocyte adhesion mediated by VLA-4 | VCAM1, ICAM1, LTB4R | ITGB1 36/4885ITGA4 9/4885ITGA5 93/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.