Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 6/20 | 0.50 |
| ▸ | CD274 | Q9NZQ7 | 6/20 | 0.50 |
| ▸ | DRD4 | P21917 | 4/20 | 0.50 |
| ▸ | SMO | Q99835 | 1/20 | 0.47 |
| ▸ | MLNR | O43193 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 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 | |
|---|---|---|---|---|
| SCHEMBL16811975 | 0.92 | DRD4 (0.49) | PDCD1CD274DRD4SMOMLNR | |
| SCHEMBL16811977 | 0.92 | DRD4 (0.49) | DRD4SMOMLNRCYP3A4MEN1 | |
| SCHEMBL16811920 | 0.90 | SMO (0.60) | PDCD1CD274DRD4SMOMCHR1 | |
| SCHEMBL18286512 | 0.90 | SMO (0.53) | PDCD1CD274DRD4SMOMEN1 | |
| SCHEMBL16812637 | 0.89 | SMO (0.47) | PDCD1CD274DRD4SMOMCHR1 | |
| SCHEMBL16811961 | 0.89 | DRD4 (0.51) | PDCD1CD274DRD4SMOMEN1 | |
| SCHEMBL16811946 | 0.89 | DRD4 (0.53) | PDCD1CD274DRD4SMOMEN1 | |
| SCHEMBL16811947 | 0.88 | DRD4 (0.52) | PDCD1CD274DRD4SMOMEN1 | |
| SCHEMBL16811962 | 0.88 | DRD4 (0.51) | PDCD1CD274DRD4SMOMEN1 | |
| SCHEMBL18286500 | 0.87 | SMO (0.57) | PDCD1CD274DRD4SMOMEN1 |
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 | PDCD1 4160/4885CD274 4285/4885DRD4 4828/4885 |
“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.