Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | GNAO1 | P09471 | 4/20 | 0.35 |
| ▸ | GNAI3 | P08754 | 3/20 | 0.35 |
| ▸ | GNAI1 | P63096 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GBA1 | P04062 | 1/20 | 0.34 |
| ▸ | HRH2 | P25021 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17526641 | 1.00 | CXCR4 (0.42) | CXCR4CHRM5CHRM3CHRM2CHRM4 | |
| SCHEMBL17526859 | 0.95 | CXCR4 (0.43) | CXCR4CHRM5CHRM3CHRM2CHRM4 | |
| SCHEMBL17526517 | 0.95 | CXCR4 (0.43) | CXCR4CHRM5CHRM3CHRM2CHRM4 | |
| SCHEMBL17526742 | 0.93 | CXCR4 (0.46) | CXCR4CHRM5CHRM3CHRM2CHRM4 | |
| SCHEMBL17526820 | 0.93 | CXCR4 (0.46) | CXCR4CHRM5CHRM3CHRM2CHRM4 | |
| SCHEMBL17526564 | 0.90 | CXCR4 (0.40) | CXCR4CHRM5CHRM3CHRM2CHRM4 | |
| SCHEMBL17526835 | 0.90 | CXCR4 (0.40) | CXCR4CHRM5CHRM3CHRM2CHRM4 | |
| SCHEMBL21348729 | 0.88 | CXCR4 (0.43) | CXCR4CHRM5CHRM3CHRM2CHRM4 | |
| SCHEMBL17526941 | 0.85 | CXCR4 (0.41) | CXCR4CHRM5CHRM3CHRM2CHRM4 | |
| SCHEMBL17523836 | 0.84 | CHRM5 (0.38) | CXCR4CHRM5CHRM3CHRM2CHRM4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160039879-A1 | NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF | S&T GLOBAL INC. (US) | 2016-02-11 | — | — | 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-20160039879-A1 | NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF | FKBP1B, MALT1, FKBP5 | CXCR4 2243/4885CHRM5 4341/4885CHRM3 4527/4885 |
“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.