Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.54 |
| ▸ | CCR3 | P51677 | 4/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 6/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 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 | |
|---|---|---|---|---|
| SCHEMBL16811865 | 0.93 | SMO (0.59) | SMOCCR3CYP2D6DRD4PRKAA2 | |
| SCHEMBL16811852 | 0.91 | SMO (0.55) | SMOCCR3CYP2D6DRD4POLB | |
| SCHEMBL16811816 | 0.91 | SMO (0.54) | SMODRD4POLBMCHR1 | |
| SCHEMBL16811820 | 0.90 | SMO (0.50) | SMOCCR3DRD3CYP2D6DRD4 | |
| SCHEMBL16811806 | 0.88 | SMO (0.57) | SMOCCR3DRD3DRD4POLB | |
| SCHEMBL16811828 | 0.88 | SMO (0.67) | SMOCCR3DRD3CYP2D6DRD4 | |
| SCHEMBL18286472 | 0.87 | SMO (0.53) | SMOCCR3DRD3DRD4POLB | |
| SCHEMBL16811784 | 0.87 | SMO (0.55) | SMOCCR3DRD3DRD4POLB | |
| SCHEMBL16811992 | 0.86 | SMO (0.77) | SMOCCR3CYP2D6DRD4MCHR1 | |
| SCHEMBL16811817 | 0.85 | SMO (0.59) | SMOCCR3DRD4NPC1ALDH1A1 |
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 4622/4885DRD3 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.