Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.64 |
| ▸ | CCR3 | P51677 | 2/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.46 |
| ▸ | WNT1 | P04628 | 4/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.45 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.44 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | KIT | P10721 | 1/20 | 0.43 |
| ▸ | FLT3 | P36888 | 1/20 | 0.43 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | AXL | P30530 | 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 | |
|---|---|---|---|---|
| SCHEMBL16811929 | 0.97 | SMO (0.64) | SMOCCR3DRD3ACKR3WNT1 | |
| SCHEMBL16811869 | 0.94 | SMO (0.72) | SMOCCR3DRD3WNT1DYRK1A | |
| SCHEMBL16811828 | 0.92 | SMO (0.67) | SMOCCR3DRD3WNT1DYRK1A | |
| SCHEMBL16811911 | 0.92 | SMO (0.66) | SMOCCR3DRD3WNT1DYRK1A | |
| SCHEMBL16811888 | 0.92 | SMO (0.66) | SMOCCR3DRD3WNT1DYRK1A | |
| SCHEMBL16811884 | 0.92 | SMO (0.66) | SMOCCR3DRD3WNT1DYRK1A | |
| SCHEMBL16811910 | 0.91 | SMO (0.65) | SMOCCR3DRD3ACKR3WNT1 | |
| SCHEMBL15615169 | 0.91 | SMO (0.64) | SMOCCR3DRD3ACKR3WNT1 | |
| SCHEMBL15615172 | 0.91 | SMO (0.64) | SMODRD3ACKR3WNT1DYRK1A | |
| SCHEMBL15615174 | 0.91 | SMO (0.64) | 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 1/4885CCR3 4622/4885DRD3 4864/4885 |
“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.