Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 1/20 | 0.49 |
| ▸ | SMO | Q99835 | 3/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.46 |
| ▸ | GPR183 | P32249 | 1/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 5/20 | 0.46 |
| ▸ | DRD4 | P21917 | 2/20 | 0.45 |
| ▸ | HTR2A | P28223 | 2/20 | 0.45 |
| ▸ | CCR3 | P51677 | 1/20 | 0.45 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.44 |
| ▸ | PRKAA2 | P54646 | 3/20 | 0.44 |
| ▸ | PRKAB2 | O43741 | 2/20 | 0.44 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.44 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.44 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.44 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.44 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL16812619 | 0.93 | SMO (0.48) | HPGDSSMOPGRGPR183CHRM4 | |
| SCHEMBL16812752 | 0.92 | SMO (0.54) | HPGDSSMOPGRGPR183CHRM4 | |
| SCHEMBL16812754 | 0.92 | HPGDS (0.49) | HPGDSSMOPGRGPR183CHRM4 | |
| SCHEMBL16812615 | 0.91 | PRKAA2 (0.50) | SMOPGRGPR183CHRM4DRD4 | |
| SCHEMBL18286584 | 0.91 | CHRM4 (0.49) | SMOPGRGPR183CHRM4DRD4 | |
| SCHEMBL16812755 | 0.91 | HPGDS (0.49) | HPGDSSMOPGRGPR183CHRM4 | |
| SCHEMBL18286595 | 0.91 | SMO (0.54) | SMOCHRM4DRD4HTR2ACCR3 | |
| SCHEMBL16812558 | 0.90 | SMO (0.59) | SMOPGRGPR183CHRM4DRD4 | |
| SCHEMBL16811966 | 0.89 | SMO (0.50) | HPGDSSMODRD4CCR3SSTR5 | |
| SCHEMBL18286597 | 0.89 | SMO (0.47) | SMOPGRGPR183CHRM4DRD4 |
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 2 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-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 | HPGDS 229/4885SMO 1/4885PGR 3016/4885 |
“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.