Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ATF4 | P18848 | 1/20 | 0.36 |
| ▸ | PDE1A | P54750 | 1/20 | 0.36 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.36 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | EIF4EBP1 | Q13541 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10004495 | 0.94 | SMO (0.55) | SMO | |
| SCHEMBL10004591 | 0.94 | SMO (0.60) | SMOALDH1A1PDE1APDE1BPDE1C | |
| SCHEMBL10004338 | 0.93 | SMO (0.54) | SMOALDH1A1PDE1APDE1BPDE1C | |
| SCHEMBL10004193 | 0.93 | SMO (0.55) | SMOKDM4EALDH1A1HSD17B10F10 | |
| SCHEMBL10003934 | 0.90 | SMO (0.55) | SMOALDH1A1DRD4 | |
| SCHEMBL10004198 | 0.89 | SMO (0.56) | SMOALDH1A1PDE1APDE1BPDE1C | |
| SCHEMBL10004690 | 0.88 | SMO (0.54) | SMOKDM4EALDH1A1DRD2DRD3 | |
| SCHEMBL10004628 | 0.88 | SMO (0.59) | SMOKDM4EALDH1A1TSHRHSD17B10 | |
| SCHEMBL10004896 | 0.88 | SMO (0.55) | SMOALDH1A1F10DRD4 | |
| SCHEMBL10003448 | 0.87 | SMO (0.55) | SMOALDH1A1CYP3A4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2471793-B1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2016-10-05 | — | — | EP | disclosed |
| US-8614208-B2 | Fused heterocyclic ring derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-12-24 | — | — | US | disclosed |
| US-20120214795-A1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-08-23 | — | — | US | disclosed |
| US-20120214795-A1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-08-23 | — | — | US | disclosed |
| US-20120214795-A1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-08-23 | — | — | US | disclosed |
| EP-2471793-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-20120214795-A1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | SMO, GLI1, SHH | SMO 1/4885KDM4E 405/4885ALDH1A1 321/4885 |
“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.