Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 5/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.39 |
| ▸ | CHRNB1 | P11230 | 4/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.39 |
| ▸ | CHRNB3 | Q05901 | 4/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL84785 | 1.00 | PDK1 (0.43) | PDK1CHRNA3CHRNB2CHRNB1CHRNB4 | |
| SCHEMBL13662031 | 0.88 | TP53 (0.44) | CHRNA3CHRNB2CHRNB1CHRNB4CHRNB3 | |
| SCHEMBL13662027 | 0.87 | CHRNA7 (0.40) | CHRNA3CHRNB2CHRNB1CHRNB4CHRNB3 | |
| SCHEMBL29173476 | 0.87 | TDP1 (0.40) | CHRNA3CHRNB2CHRNB1CHRNB4CHRNB3 | |
| SCHEMBL29173478 | 0.87 | TDP1 (0.40) | CHRNA3CHRNB2CHRNB1CHRNB4CHRNB3 | |
| SCHEMBL30206290 | 0.87 | TDP1 (0.40) | CHRNA3CHRNB2CHRNB1CHRNB4CHRNB3 | |
| SCHEMBL10225750 | 0.84 | PDK1 (0.40) | PDK1CHRNA3CHRNB2CHRNB1CHRNB4 | |
| SCHEMBL85313 | 0.82 | KCNH2 (0.46) | CHRNB2CHRNA7CHRNA4TP53CYP3A4 | |
| SCHEMBL29173465 | 0.81 | KDM4E (0.48) | CHRNA3CHRNB4SMN1; SMN2 | |
| SCHEMBL30206257 | 0.81 | KDM4E (0.48) | CHRNA3CHRNB4SMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130065882-A1 | VLA-4 inhibitory drug | MACHINAGA NOBUO (JP) | 2013-03-14 | — | — | 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 (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-20130065882-A1 | VLA-4 inhibitory drug | VCAM1, ITGB4, ITGA4 | PDK1 2847/4885CHRNA3 2359/4885CHRNB2 3177/4885 |
“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.