Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | PLK4 | O00444 | 1/20 | 0.39 |
| ▸ | FLT4 | P35916 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | TEK | Q02763 | 1/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | CCNK | O75909 | 1/20 | 0.33 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.33 |
| ▸ | TTK | P33981 | 1/20 | 0.32 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.32 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16610896 | 0.79 | PLK4 (0.41) | ALDH1A1NPSR1PLK4FLT4KDR | |
| SCHEMBL2596946 | 0.69 | ALDH1A1 (0.38) | ALDH1A1NPSR1PLK4FLT4KDR | |
| SCHEMBL2596945 | 0.69 | ALDH1A1 (0.38) | ALDH1A1NPSR1PLK4FLT4KDR | |
| SCHEMBL21246819 | 0.69 | PTGS2 (0.37) | ALDH1A1FLT4KDRKDM4EMAPT | |
| SCHEMBL25752493 | 0.67 | HASPIN (0.35) | ALDH1A1MAPTLRRK2 | |
| SCHEMBL5884617 | 0.66 | CYP11B1 (0.48) | ALDH1A1NPSR1TMEM97SIGMAR1TSHR | |
| SCHEMBL21262602 | 0.65 | LMNA (0.43) | ALDH1A1NPSR1KDM4EHPGDHSD17B10 | |
| SCHEMBL16610783 | 0.65 | LRRK2 (0.48) | LRRK2 | |
| SCHEMBL16610864 | 0.65 | LRRK2 (0.46) | LRRK2 | |
| SCHEMBL848005 | 0.65 | ALDH1A1 (0.43) | ALDH1A1NPSR1PLK4FLT4KDR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160251352-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2016-09-01 | — | — | US | disclosed |
| US-9371320-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-06-21 | — | — | US | disclosed |
| US-20150141406-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-05-21 | — | — | US | disclosed |
| EP-2857400-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2015-04-08 | — | — | EP | 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 (2 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-20160251352-A1 | HETEROCYCLIC COMPOUND | JAK2, JAK1, STAT3 | ALDH1A1 3511/4885NPSR1 2927/4885PLK4 620/4885 |
| US-20150141406-A1 | HETEROCYCLIC COMPOUND | JAK2, JAK1, STAT3 | ALDH1A1 3511/4885NPSR1 2927/4885PLK4 620/4885 |
“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.