Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 8/20 | 0.49 |
| ▸ | ITGA4 | P13612 | 8/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.41 |
| ▸ | ACSL1 | P33121 | 1/20 | 0.41 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2433525 | 0.92 | NPC1 (0.47) | ITGB1ITGA4KDM4EALDH1A1NPC1 | |
| SCHEMBL2433631 | 0.84 | ITGB1 (0.61) | ITGB1ITGA4S1PR1S1PR3ACSL1 | |
| SCHEMBL2431939 | 0.84 | ITGB1 (0.62) | ITGB1ITGA4S1PR1S1PR3ACSL1 | |
| SCHEMBL2432187 | 0.84 | ITGB1 (0.44) | ITGB1ITGA4S1PR1S1PR3ACSL1 | |
| SCHEMBL2432184 | 0.84 | ITGB1 (0.44) | ITGB1ITGA4S1PR1S1PR3ACSL1 | |
| SCHEMBL2440038 | 0.79 | ITGB1 (0.41) | ITGB1ITGA4S1PR1S1PR3ACSL1 | |
| SCHEMBL2429140 | 0.79 | ITGA4 (0.52) | ITGB1ITGA4NPC1RAB9A | |
| SCHEMBL2434329 | 0.78 | ITGB1 (0.64) | ITGB1ITGA4S1PR1S1PR3PDCD1 | |
| SCHEMBL2436546 | 0.78 | ITGB1 (0.63) | ITGB1ITGA4S1PR1S1PR3PDCD1 | |
| SCHEMBL2436543 | 0.78 | ITGB1 (0.63) | ITGB1ITGA4S1PR1S1PR3PDCD1 |
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-1346982-B1 | VLA-4 INHIBITORS | DAIICHI SEIYAKU CO (JP) | 2011-09-14 | — | — | EP | disclosed |
| US-7157487-B2 | Vla-4 inhibitors | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-01-02 | — | — | US | disclosed |
| US-20040110945-A1 | Vla-4 inhibitors | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2004-06-10 | — | — | US | disclosed |
| EP-1346982-A1 | VLA-4 INHIBITORS | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2003-09-24 | — | — | EP | 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-20040110945-A1 | Vla-4 inhibitors | VCAM1, ITGA1, ITGB4 | ITGB1 5/4885ITGA4 4/4885KDM4E 1271/4885 |
“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.