Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17346440 | 0.92 | TSHR (0.44) | TSHRSIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL17346323 | 0.87 | SIGMAR1 (0.44) | TSHRSIGMAR1CYP2C19POLBTDP1 | |
| SCHEMBL17345907 | 0.87 | SIGMAR1 (0.45) | SIGMAR1SLC6A2SLC6A4SLC6A3CHRM2 | |
| SCHEMBL17346183 | 0.81 | SIGMAR1 (0.44) | TSHRSIGMAR1CYP2C19POLBTDP1 | |
| SCHEMBL17346426 | 0.81 | TAAR1 (0.43) | TSHRSIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL17346348 | 0.81 | BCHE (0.41) | SIGMAR1SLC6A2SLC6A4SLC6A3CHRM2 | |
| SCHEMBL17346409 | 0.81 | CYP2C19 (0.43) | SIGMAR1SLC6A2SLC6A4SLC6A3CHRM2 | |
| SCHEMBL17345900 | 0.76 | SIGMAR1 (0.47) | SIGMAR1CYP2C19CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17346235 | 0.76 | SIGMAR1 (0.46) | SIGMAR1CHRM2ALDH1A1 | |
| SCHEMBL17345915 | 0.76 | SIGMAR1 (0.43) | SIGMAR1POLBTDP1ALDH1A1 |
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 | TSHR 4074/4885SIGMAR1 412/4885SLC6A2 749/4885 |
| US-10550139-B2 | Polydentate ligands and their complexes for molecular catalysis | NANS, NCL, NCLN | TSHR 4074/4885SIGMAR1 412/4885SLC6A2 749/4885 |
“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.