Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.59 |
| ▸ | CCR3 | P51677 | 4/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 4/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.48 |
| ▸ | SLC6A12 | P48065 | 1/20 | 0.48 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.46 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.46 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.46 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.46 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.46 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.46 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16811847 | 0.93 | SMO (0.54) | SMOCCR3MCHR1PRKAA2DRD4 | |
| SCHEMBL16811829 | 0.91 | SMO (0.59) | SMOCCR3MCHR1SIGMAR1SLC6A12 | |
| SCHEMBL16811825 | 0.91 | SMO (0.59) | SMOMCHR1SIGMAR1SLC6A12TMEM97 | |
| SCHEMBL16811992 | 0.90 | SMO (0.77) | SMOCCR3MCHR1DRD2DRD4 | |
| SCHEMBL16811850 | 0.90 | SMO (0.62) | SMOCCR3MCHR1SIGMAR1SLC6A12 | |
| SCHEMBL16811802 | 0.89 | SMO (0.73) | SMOCCR3MCHR1SIGMAR1SLC6A12 | |
| SCHEMBL16811820 | 0.89 | SMO (0.50) | SMOCCR3MCHR1SLC6A12DRD4 | |
| SCHEMBL18286501 | 0.88 | SMO (0.57) | SMOCCR3MCHR1SIGMAR1SLC6A12 | |
| SCHEMBL16811841 | 0.88 | SMO (0.59) | SMOCCR3MCHR1SIGMAR1SLC6A12 | |
| SCHEMBL16811827 | 0.86 | SMO (0.62) | SMOCCR3MCHR1SIGMAR1SLC6A12 |
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 1/4885CCR3 4622/4885MCHR1 3063/4885 |
“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.