Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.39 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.39 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CFTR | P13569 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12876137 | 0.85 | ATP4A (0.39) | CASP3ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL1198819 | 0.82 | ALDH1A1 (0.44) | ARCASP3CASP7CASP8ALDH1A1 | |
| SCHEMBL2431523 | 0.78 | GRIN1 (0.42) | GRIN1GRIN2BL3MBTL1KDM4C | |
| SCHEMBL1199248 | 0.77 | GRIN1 (0.38) | ARALDH1A1MEN1KMT2AGRIN1 | |
| SCHEMBL1198600 | 0.76 | GRIN1 (0.38) | ARALDH1A1MEN1KMT2AGRIN1 | |
| SCHEMBL1198888 | 0.75 | GRIN1 (0.37) | ARALDH1A1MEN1KMT2AGRIN1 | |
| SCHEMBL1199541 | 0.75 | PPARG (0.40) | ALDH1A1MEN1KMT2AGRIN1GRIN2B | |
| SCHEMBL1199130 | 0.75 | MAPT (0.39) | ARALDH1A1MEN1KMT2AGRIN1 | |
| SCHEMBL1197624 | 0.75 | MEN1 (0.41) | ALDH1A1MEN1KMT2AGRIN1GRIN2B | |
| SCHEMBL1198026 | 0.72 | MEN1 (0.52) | ARCASP3CASP7CASP8ALDH1A1 |
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 | AR 202/4885CASP3 2238/4885CASP7 1905/4885 |
“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.