Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 10/20 | 0.51 |
| ▸ | ITGB1 | P05556 | 4/20 | 0.51 |
| ▸ | PYGL | P06737 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | CCR3 | P51677 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL14558830 | 0.94 | ITGA4 (0.52) | ITGA4ITGB1PYGLALDH1A1 | |
| SCHEMBL5149772 | 0.89 | ITGA4 (0.48) | ITGA4ITGB1PYGLKDM4ESMN1; SMN2 | |
| SCHEMBL5155099 | 0.88 | ITGA4 (0.51) | ITGA4ITGB1PYGLALDH1A1 | |
| SCHEMBL5155094 | 0.87 | ITGA4 (0.44) | ITGA4ITGB1ALDH1A1PDE4DOPRK1 | |
| SCHEMBL14558358 | 0.85 | ITGA4 (0.55) | ITGA4ITGB1PYGLALDH1A1 | |
| SCHEMBL14558359 | 0.84 | ITGA4 (0.50) | ITGA4ITGB1PYGLSMN1; SMN2MAPT | |
| SCHEMBL5152022 | 0.84 | ITGA4 (0.50) | ITGA4ITGB1PYGLSMN1; SMN2MAPT | |
| SCHEMBL5151903 | 0.81 | ITGA4 (0.64) | ITGA4ITGB1 | |
| SCHEMBL5153568 | 0.80 | ITGA4 (0.52) | ITGA4ITGB1PYGLKDM4E | |
| SCHEMBL14558365 | 0.78 | ITGA4 (0.57) | ITGA4ITGB1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7179819-B2 | VLA-4 inhibitor compounds | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-02-20 | — | — | US | disclosed |
| US-20040229858-A1 | VLA-4 inhibitor compounds | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2004-11-18 | — | — | US | 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 |
| US-20030078249-A1 | VLA-4 inhibitor compounds | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2003-04-24 | — | — | US | 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 (2 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-20030078249-A1 | VLA-4 inhibitor compounds | VCAM1, ICAM1, ITGA4 | ITGA4 3/4885ITGB1 7/4885PYGL 1293/4885 |
| US-20040229858-A1 | VLA-4 inhibitor compounds | VCAM1, ICAM1, ITGB4 | ITGA4 5/4885ITGB1 7/4885PYGL 1448/4885 |
“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.