Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17346279 | 0.88 | ALDH1A1 (0.34) | CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL17346286 | 0.85 | CYP2C9 (0.32) | CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL17346144 | 0.81 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL15444588 | 0.80 | CYP2C9 (0.37) | CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL21704198 | 0.79 | TSHR (0.38) | CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL23488909 | 0.78 | CYP2C9 (0.52) | CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL17345960 | 0.78 | CYP2C9 (0.52) | CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL25556027 | 0.78 | CYP2C9 (0.36) | CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL17346282 | 0.78 | — | — | |
| SCHEMBL18649792 | 0.77 | — | — |
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-10550139-B2 | Polydentate ligands and their complexes for molecular catalysis | TRIAD NATIONAL SECURITY, LLC (US) | 2020-02-04 | — | — | US | disclosed |
| US-20170088571-A1 | POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS | TRIAD NATIONAL SECURITY, LLC | 2017-03-30 | — | — | US | disclosed |
| US-20170088571-A1 | POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS | TRIAD NATIONAL SECURITY, LLC | 2017-03-30 | — | — | US | disclosed |
| WO-2015191505-A1 | POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS | LOS ALAMOS NATIONAL SECURITY, LLC (US) | 2015-12-17 | — | — | 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 (2 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-20170088571-A1 | POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS | NANS, NCL, NCLN | CYP2C9 3796/4885CYP2C19 4732/4885ALDH1A1 862/4885 |
| US-10550139-B2 | Polydentate ligands and their complexes for molecular catalysis | NANS, NCL, NCLN | CYP2C9 3796/4885CYP2C19 4732/4885ALDH1A1 862/4885 |
“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.