Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.84 |
| ▸ | DRD4 | P21917 | 5/20 | 0.49 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.47 |
| ▸ | WNT1 | P04628 | 1/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 2/20 | 0.45 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.44 |
| ▸ | RET | P07949 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | CCR3 | P51677 | 1/20 | 0.42 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.42 |
| ▸ | FLT3 | P36888 | 1/20 | 0.42 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.42 |
| ▸ | MERTK | Q12866 | 1/20 | 0.42 |
| ▸ | GAS6 | Q14393 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16811859 | 1.00 | SMO (0.84) | SMODRD4CXCR4WNT1DYRK1A | |
| SCHEMBL16811981 | 0.97 | SMO (0.79) | SMODRD4CXCR4WNT1DYRK1A | |
| SCHEMBL16812013 | 0.97 | SMO (0.79) | SMODRD4CXCR4WNT1DYRK1A | |
| SCHEMBL16811994 | 0.96 | SMO (0.78) | SMODRD4CXCR4WNT1DYRK1A | |
| SCHEMBL16812002 | 0.96 | SMO (0.77) | SMODRD4CXCR4WNT1DYRK1A | |
| SCHEMBL16811985 | 0.94 | SMO (0.77) | SMODRD4CXCR4WNT1DYRK1A | |
| SCHEMBL16811801 | 0.94 | SMO (0.73) | SMODRD4CXCR4WNT1DYRK1A | |
| SCHEMBL16811878 | 0.94 | SMO (0.72) | SMODRD4CXCR4WNT1DYRK1A | |
| SCHEMBL16812019 | 0.93 | SMO (0.75) | SMODRD4CXCR4WNT1DYRK1A | |
| SCHEMBL16812005 | 0.93 | SMO (0.75) | SMODRD4CXCR4WNT1DYRK1A |
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-9512106-B2 | Smoothened modulators and methods of use thereof | DUKE UNIVERSITY (US) | 2016-12-06 | — | — | US | disclosed |
| US-9512106-B2 | Smoothened modulators and methods of use thereof | DUKE UNIVERSITY (US) | 2016-12-06 | — | — | US | disclosed |
| US-20150166509-A1 | SMOOTHENED MODULATORS AND METHODS OF USE THEREOF | UNIV DUKE (US) | 2015-06-18 | — | — | US | disclosed |
| US-20150166509-A1 | SMOOTHENED MODULATORS AND METHODS OF USE THEREOF | UNIV DUKE (US) | 2015-06-18 | — | — | 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-20150166509-A1 | SMOOTHENED MODULATORS AND METHODS OF USE THEREOF | SMO, SHH, GLI1 | SMO 1/4885DRD4 4828/4885CXCR4 3485/4885 |
“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.