Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | LCK | P06239 | 1/20 | 0.45 |
| ▸ | CSK | P41240 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 3/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.43 |
| ▸ | HTR3B | O95264 | 2/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.43 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.43 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL14772006 | 0.90 | KDM4E (0.47) | KDM4EROCK1HDAC3HDAC1LCK | |
| SCHEMBL14772008 | 0.87 | KDM4E (0.50) | KDM4EROCK1HDAC3HDAC1LCK | |
| SCHEMBL91595 | 0.80 | KDM4E (0.58) | KDM4EROCK1HDAC3HDAC1LCK | |
| SCHEMBL14504989 | 0.79 | TSHR (0.48) | KDM4EROCK1HDAC3HDAC1LCK | |
| SCHEMBL14772115 | 0.79 | GRM4 (0.39) | KDM4ETSHR | |
| SCHEMBL91590 | 0.78 | ALDH1A1 (0.55) | KDM4EHDAC3HDAC1LCKCSK | |
| SCHEMBL12327693 | 0.77 | KDM4E (0.46) | KDM4EROCK1HDAC3HDAC1LCK | |
| SCHEMBL92358 | 0.76 | KDM4E (0.53) | KDM4EROCK1HDAC3HDAC1LCK | |
| SCHEMBL92552 | 0.76 | KDM4E (0.53) | KDM4EROCK1HDAC3HDAC1LCK | |
| SCHEMBL91588 | 0.76 | KDM4E (0.53) | KDM4EROCK1HDAC3HDAC1LCK |
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 | KDM4E 996/4885ROCK1 3169/4885HDAC3 432/4885 |
“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.