Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.40 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.40 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.37 |
| ▸ | SELE | P16581 | 1/20 | 0.37 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.34 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL724181 | 0.86 | CYP2A6 (0.44) | CYP2A6KDM4EALDH1A1GLAGAA | |
| SCHEMBL13723718 | 0.76 | KDM4E (0.41) | CYP2A6KDM4EALDH1A1GLAGAA | |
| SCHEMBL3925108 | 0.76 | KDM4E (0.38) | CYP2A6KDM4EALDH1A1GLAGAA | |
| SCHEMBL157274 | 0.74 | TUBB4A (0.48) | CYP2A6KDM4EALDH1A1GAACASP1 | |
| SCHEMBL23963781 | 0.73 | KDM4E (0.43) | CYP2A6KDM4EALDH1A1GLAGAA | |
| SCHEMBL3925107 | 0.71 | ALDH1A1 (0.52) | CYP2A6KDM4EALDH1A1GLAGAA | |
| SCHEMBL23963848 | 0.70 | KDM4E (0.38) | CYP2A6KDM4EALDH1A1GLAGAA | |
| SCHEMBL23474000 | 0.70 | KDM4E (0.38) | CYP2A6KDM4EALDH1A1GLAGAA | |
| SCHEMBL23478586 | 0.70 | KDM4E (0.38) | CYP2A6KDM4EALDH1A1GLAGAA | |
| SCHEMBL11885002 | 0.70 | KDM4E (0.44) | CYP2A6KDM4EALDH1A1GLAGAA |
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-8436043-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-05-07 | — | — | US | disclosed |
| US-20120270865-A2 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-10-25 | — | — | US | disclosed |
| US-20120053173-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-01 | — | — | US | disclosed |
| EP-2251326-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2010-11-17 | — | — | 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-20120053173-A1 | HETEROCYCLIC COMPOUND | SLC5A2, SLC5A1, IAPP | CYP2A6 573/4885KDM4E 1907/4885ALDH1A1 504/4885 |
| US-20120270865-A2 | HETEROCYCLIC COMPOUND | SLC5A2, SLC5A1, IAPP | CYP2A6 573/4885KDM4E 1907/4885ALDH1A1 504/4885 |
“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.