Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 5/20 | 0.53 |
| ▸ | CHUK | O15111 | 3/20 | 0.53 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.39 |
| ▸ | CYP21A2 | P08686 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL17455989 | 0.93 | IKBKB (0.52) | IKBKBCHUKCYP11B1CYP17A1CYP21A2 | |
| SCHEMBL17455919 | 0.88 | IKBKB (0.42) | IKBKBCHUKCYP11B1CYP11B2CYP17A1 | |
| SCHEMBL17455964 | 0.87 | IKBKB (0.45) | IKBKBCHUKPIK3CDCYP1A2TDO2 | |
| SCHEMBL17455970 | 0.82 | CHRM1 (0.43) | IKBKBCHUKCYP1A2TDO2 | |
| SCHEMBL17456030 | 0.81 | IKBKB (0.43) | IKBKBCHUKPIK3CDCYP1A2TDO2 | |
| SCHEMBL17455942 | 0.80 | IKBKB (0.42) | IKBKBCHUKCYP11B1CYP17A1CYP21A2 | |
| SCHEMBL17456033 | 0.79 | IKBKB (0.47) | IKBKBCHUKCYP11B1CYP11B2PIK3CD | |
| SCHEMBL17456023 | 0.76 | CHRM1 (0.42) | IKBKBCHUKCYP1A2TDO2 | |
| SCHEMBL17456041 | 0.75 | CYP11B1 (0.53) | CYP11B1CYP11B2 | |
| SCHEMBL17456001 | 0.75 | PIK3CD (0.46) | IKBKBCHUKPIK3CD |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2982666-B1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2019-08-07 | — | — | EP | disclosed |
| EP-2982666-B1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2019-08-07 | — | — | EP | disclosed |
| US-9598398-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-03-21 | — | — | US | disclosed |
| US-9598398-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-03-21 | — | — | US | disclosed |
| US-9598398-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-03-21 | — | — | US | disclosed |
| EP-2982666-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2016-02-10 | — | — | EP | disclosed |
| US-20160024049-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-01-28 | — | — | US | disclosed |
| US-20160024049-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-01-28 | — | — | US | disclosed |
| US-20160024049-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-01-28 | — | — | 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-20160024049-A1 | HETEROCYCLIC COMPOUND | PSEN1, PSEN2, BACE1 | IKBKB 2723/4885CHUK 1104/4885CYP11B1 88/4885 |
“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.