Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.50 |
| ▸ | PYGL | P06737 | 4/20 | 0.48 |
| ▸ | CAMK2A | Q9UQM7 | 2/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.46 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5153450 | 0.88 | NR1H4 (0.52) | NR1H4NPSR1 | |
| SCHEMBL5152104 | 0.84 | LPAR1 (0.52) | PTGS2PYGL | |
| SCHEMBL5156939 | 0.83 | NR1H4 (0.41) | NR1H4PTGS2PYGLNPSR1 | |
| SCHEMBL5155328 | 0.82 | ITGB1 (0.57) | NR1H4 | |
| SCHEMBL5150239 | 0.81 | NR1H4 (0.55) | NR1H4 | |
| SCHEMBL5156956 | 0.81 | ITGB1 (0.52) | — | |
| SCHEMBL5149711 | 0.78 | MEN1 (0.60) | NR1H4NPSR1 | |
| SCHEMBL5151666 | 0.78 | RAB9A (0.61) | NR1H4 | |
| SCHEMBL5153169 | 0.78 | MEN1 (0.52) | NR1H4 | |
| SCHEMBL5150193 | 0.77 | MEN1 (0.52) | NPSR1 |
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-20070054909-A1 | VLA-4 inhibitor compounds | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-03-08 | — | — | US | disclosed |
| US-7179819-B2 | VLA-4 inhibitor compounds | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-02-20 | — | — | US | disclosed |
| EP-1189612-A4 | VLA-4 INHIBITOR COMPOUNDS | DAIICHI SEIYAKU CO (JP) | 2005-02-16 | — | — | EP | 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 |
| 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 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 | NR1H4 886/4885PTGS2 2062/4885PYGL 1293/4885 |
| US-20070054909-A1 | VLA-4 inhibitor compounds | VCAM1, ITGB4, ICAM1 | NR1H4 1029/4885PTGS2 2416/4885PYGL 1273/4885 |
| US-20040229858-A1 | VLA-4 inhibitor compounds | VCAM1, ICAM1, ITGB4 | NR1H4 916/4885PTGS2 2117/4885PYGL 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.