Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.55 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.44 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | CCR2 | P41597 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | NMT1 | P30419 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | SCN1A | P35498 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17456041 | 0.94 | CYP11B1 (0.53) | CYP11B1CYP11B2SMN1; SMN2DRD2HTR2A | |
| SCHEMBL17455985 | 0.92 | SMN1; SMN2 (0.50) | CYP11B1CYP11B2SMN1; SMN2SCN9AALDH1A1 | |
| SCHEMBL17455938 | 0.88 | SMN1; SMN2 (0.57) | SMN1; SMN2SCN9ASIGMAR1ROCK1ROCK2 | |
| SCHEMBL17455920 | 0.87 | CYP46A1 (0.57) | SMN1; SMN2SCN9ADRD2SIGMAR1ROCK1 | |
| SCHEMBL17455972 | 0.86 | MCHR1 (0.50) | CYP11B1CYP11B2SMN1; SMN2ROCK1ROCK2 | |
| SCHEMBL17455978 | 0.81 | MCHR1 (0.47) | CYP11B1CYP11B2SMN1; SMN2ROCK1ROCK2 | |
| SCHEMBL17455968 | 0.80 | SMN1; SMN2 (0.53) | CYP11B1CYP11B2SMN1; SMN2SCN9ADRD2 | |
| SCHEMBL17455967 | 0.80 | SCN9A (0.51) | SMN1; SMN2SCN9ADRD2SIGMAR1ALDH1A1 | |
| SCHEMBL17455988 | 0.78 | KDM4E (0.46) | CYP11B1CYP11B2SMN1; SMN2SCN9ASCN1A | |
| SCHEMBL4125911 | 0.77 | HRH3 (0.65) | SMN1; SMN2SCN9ASIGMAR1ROCK1ROCK2 |
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 | CYP11B1 88/4885CYP11B2 82/4885SMN1; SMN2 23/4885 |
“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.