Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 3/20 | 0.42 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | TYRO3 | Q06418 | 6/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | AXL | P30530 | 3/20 | 0.37 |
| ▸ | HTR1A | P08908 | 3/20 | 0.36 |
| ▸ | HTR7 | P34969 | 3/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.36 |
| ▸ | IKBKB | O14920 | 1/20 | 0.36 |
| ▸ | CHUK | O15111 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | CDK4 | P11802 | 1/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.36 |
| ▸ | CCND1 | P24385 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17456027 | 0.87 | CHRM1 (0.46) | CHRM1CDK2CCNA2TYRO3PIK3CD | |
| SCHEMBL17455952 | 0.86 | KDM4E (0.47) | CHRM1MCHR1HTR2CKCNH2 | |
| SCHEMBL17455979 | 0.86 | MCHR1 (0.43) | MCHR1HTR2CKCNH2PIK3CDIKBKB | |
| SCHEMBL17456044 | 0.84 | MCHR1 (0.44) | MCHR1HTR2CKCNH2 | |
| SCHEMBL17456004 | 0.84 | SMN1; SMN2 (0.52) | MCHR1 | |
| SCHEMBL17455970 | 0.82 | CHRM1 (0.43) | CHRM1MCHR1HTR2CKCNH2HTR1A | |
| SCHEMBL17456033 | 0.82 | IKBKB (0.47) | MCHR1PIK3CDIKBKBCHUK | |
| SCHEMBL17456023 | 0.81 | CHRM1 (0.42) | CHRM1MCHR1HTR2CKCNH2HTR1A | |
| SCHEMBL17455933 | 0.81 | CYP11B1 (0.38) | MCHR1HTR2CKCNH2PIK3CDIKBKB | |
| SCHEMBL17455917 | 0.80 | CYP1A2 (0.47) | MCHR1IKBKBCHUK |
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 | CHRM1 519/4885CDK2 440/4885CCNA2 391/4885 |
“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.