Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.78 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | SCN1A | P35498 | 1/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
| ▸ | USP19 | O94966 | 1/20 | 0.31 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1063456 | 0.89 | SMO (0.82) | SMOKDM4EALDH1A1TP53HSD17B10 | |
| SCHEMBL1060990 | 0.88 | SMO (0.81) | SMOKDM4EALDH1A1TP53HSD17B10 | |
| Tak-441 SCHEMBL1061476 | 0.88 | SMO (1.00) | SMOKDM4EALDH1A1TP53HSD17B10 | |
| SCHEMBL10003646 | 0.86 | SMO (0.80) | SMOKDM4EALDH1A1TP53HSD17B10 | |
| SCHEMBL12933511 | 0.85 | SMO (0.77) | SMOKDM4EALDH1A1TP53HSD17B10 | |
| SCHEMBL1061535 | 0.85 | SMO (0.76) | SMOEPHX2 | |
| SCHEMBL1060589 | 0.85 | SMO (0.75) | SMOMCHR1EPHX2 | |
| SCHEMBL10004122 | 0.84 | SMO (0.75) | SMOKDM4EALDH1A1TP53HSD17B10 | |
| SCHEMBL1063092 | 0.84 | SMO (0.75) | SMOALDH1A1 | |
| SCHEMBL1061383 | 0.84 | SMO (0.74) | SMOEPHX2 |
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-8927718-B2 | Fused heterocyclic ring derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-01-06 | — | — | US | disclosed |
| EP-2471791-B1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2014-11-12 | — | — | EP | disclosed |
| US-20120208794-A1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-08-16 | — | — | US | disclosed |
| EP-2471791-A1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2012-07-04 | — | — | 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 (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-20120208794-A1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | SMO, GLI1, SHH | SMO 1/4885MCHR1 1670/4885KDM4E 405/4885 |
“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.