Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 1/20 | 0.50 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.46 |
| ▸ | ATR | Q13535 | 1/20 | 0.46 |
| ▸ | MAPKAPK2 | P49137 | 5/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 4/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 4/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.44 |
| ▸ | GABRA4 | P48169 | 3/20 | 0.44 |
| ▸ | GABRA6 | Q16445 | 3/20 | 0.44 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | GABRP | O00591 | 1/20 | 0.42 |
| ▸ | GABRD | O14764 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | GABRE | P78334 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL64988 | 0.93 | MAPK1 (0.51) | NAMPTCYP17A1ATRMAPKAPK2PSMB8 | |
| SCHEMBL1734048 | 0.88 | P4HTM (0.54) | NAMPTCYP17A1MAPK1CA12CA1 | |
| SCHEMBL29929054 | 0.88 | P4HTM (0.54) | NAMPTCYP17A1MAPK1CA12CA1 | |
| SCHEMBL2012546 | 0.88 | NAMPT (0.50) | NAMPTCYP17A1ATRMAPKAPK2PSMB8 | |
| SCHEMBL1810634 | 0.88 | NAMPT (0.45) | NAMPTCYP17A1ATRMAPKAPK2GABRG2 | |
| SCHEMBL19470129 | 0.87 | NAMPT (0.49) | NAMPTCYP17A1MAPKAPK2PSMB8MAP4K4 | |
| SCHEMBL2414378 | 0.86 | NAMPT (0.44) | NAMPTCYP17A1ATRMAPKAPK2PSMB8 | |
| SCHEMBL20828515 | 0.85 | NAMPT (0.51) | NAMPTCYP17A1ATRMAPKAPK2PSMB8 | |
| SCHEMBL30602659 | 0.85 | NAMPT (0.51) | NAMPTCYP17A1ATRMAPKAPK2PSMB8 | |
| SCHEMBL25733684 | 0.85 | AURKB (0.46) | NAMPTMAPKAPK2GABRG2GABRB3GABRA5 |
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 5 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 |
| 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 (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 | NAMPT 2623/4885CYP17A1 1378/4885ATR 4611/4885 |
| US-20070054909-A1 | VLA-4 inhibitor compounds | VCAM1, ITGB4, ICAM1 | NAMPT 2667/4885CYP17A1 1610/4885ATR 4731/4885 |
| US-20040229858-A1 | VLA-4 inhibitor compounds | VCAM1, ICAM1, ITGB4 | NAMPT 2626/4885CYP17A1 1556/4885ATR 4737/4885 |
“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.