Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 1/20 | 0.49 |
| ▸ | SMO | Q99835 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CCR3 | P51677 | 1/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 6/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | MLNR | O43193 | 6/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | GHSR | Q92847 | 1/20 | 0.44 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16811975 | 0.93 | DRD4 (0.49) | DRD4SMOMEN1KMT2ACCR3 | |
| SCHEMBL16811971 | 0.92 | PDCD1 (0.50) | DRD4SMOMEN1KMT2APDE4B | |
| SCHEMBL16811972 | 0.91 | DRD4 (0.49) | DRD4SMOMEN1KMT2ACCR3 | |
| SCHEMBL18286472 | 0.91 | SMO (0.53) | DRD4SMOMEN1KMT2ACCR3 | |
| SCHEMBL15615141 | 0.90 | SMO (0.60) | SMOCCR3PDE4BPDE4DKCNH2 | |
| SCHEMBL16811963 | 0.90 | SMO (0.50) | DRD4SMOMEN1KMT2ACCR3 | |
| SCHEMBL16812633 | 0.90 | SMO (0.48) | DRD4SMOCCR3PDE4BPDE4D | |
| SCHEMBL16811956 | 0.90 | SMO (0.51) | DRD4SMOMEN1KMT2ACCR3 | |
| SCHEMBL16811952 | 0.89 | SMO (0.51) | DRD4SMOMEN1KMT2ACCR3 | |
| SCHEMBL16811966 | 0.88 | SMO (0.50) | DRD4SMOMEN1KMT2ACCR3 |
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 | DRD4 4828/4885SMO 1/4885MEN1 1287/4885 |
“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.