Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.60 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.48 |
| ▸ | CCR3 | P51677 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | WNT1 | P04628 | 3/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.44 |
| ▸ | MLNR | O43193 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | GHSR | Q92847 | 1/20 | 0.44 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CXCR4 | P61073 | 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 | |
|---|---|---|---|---|
| SCHEMBL16811941 | 0.95 | SMO (0.60) | SMOPDE4BMLNRCYP3A4CYP2D6 | |
| SCHEMBL16811923 | 0.92 | SMO (0.60) | SMOPDE4BCCR3WNT1DYRK1A | |
| SCHEMBL16811920 | 0.92 | SMO (0.60) | SMOPDE4BDRD3WNT1DYRK1A | |
| SCHEMBL16811869 | 0.91 | SMO (0.72) | SMOCCR3DRD3WNT1DYRK1A | |
| SCHEMBL16811922 | 0.91 | SMO (0.60) | SMOCCR3DRD3WNT1DYRK1A | |
| SCHEMBL16811828 | 0.91 | SMO (0.67) | SMOCCR3DRD3WNT1DYRK1A | |
| SCHEMBL16811977 | 0.90 | DRD4 (0.49) | SMOPDE4BCCR3DRD3MLNR | |
| SCHEMBL15615174 | 0.89 | SMO (0.64) | SMOCCR3DRD3WNT1DYRK1A | |
| SCHEMBL15615166 | 0.89 | SMO (0.64) | SMOCCR3DRD3WNT1DYRK1A | |
| SCHEMBL16811911 | 0.89 | SMO (0.66) | SMOCCR3DRD3WNT1DYRK1A |
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 5 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 |
| WO-2014043608-A2 | SMOOTHENED MODULATORS AND METHODS OF USE THEREOF | DUKE UNIVERSITY (US) | 2014-03-20 | — | — | WO | 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 1/4885PDE4B 1094/4885CCR3 4622/4885 |
“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.