Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 10/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 9/20 | 0.42 |
| ▸ | SIRT5 | Q9NXA8 | 2/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | PTPRF | P10586 | 1/20 | 0.38 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.38 |
| ▸ | ATP4A | P20648 | 1/20 | 0.38 |
| ▸ | ATP4B | P51164 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | KMO | O15229 | 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 | |
|---|---|---|---|---|
| SCHEMBL12876343 | 0.90 | NPC1 (0.41) | SIRT5AKT1KDM4EALDH1A1ITGB3 | |
| SCHEMBL1198344 | 0.86 | KDM4E (0.47) | SIRT5KDM4EALDH1A1ITGB3ITGA2B | |
| SCHEMBL12875697 | 0.86 | SIRT5 (0.44) | SIRT5AKT1KDM4EALDH1A1AKR1B1 | |
| SCHEMBL1198790 | 0.78 | ITGB2 (0.45) | SIRT5KDM4EALDH1A1ITGB3ITGA2B | |
| SCHEMBL12875696 | 0.77 | KMT2A (0.53) | AKT1KDM4EALDH1A1ITGB3ITGA2B | |
| SCHEMBL12875689 | 0.75 | KMO (0.47) | AKT1AKR1B1KMO | |
| SCHEMBL1197463 | 0.74 | ITGB2 (0.52) | SIRT5KDM4EALDH1A1ITGB3ITGA2B | |
| SCHEMBL12875682 | 0.74 | SIRT5 (0.44) | SIRT5AKT1KDM4EALDH1A1ATP4A | |
| SCHEMBL1198469 | 0.74 | KDM4E (0.44) | NFE2L2KEAP1KDM4EALDH1A1 | |
| SCHEMBL1198911 | 0.71 | MEN1 (0.52) | KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8461348-B2 | Heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-06-11 | — | — | US | disclosed |
| US-20110028493-A1 | HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-02-03 | — | — | 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-20110028493-A1 | HETEROCYCLIC DERIVATIVE AND USE THEREOF | PDE3B, PDE5A, PDE2A | NFE2L2 719/4885KEAP1 1548/4885SIRT5 531/4885 |
“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.