Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 5/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.39 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17346383 | 0.87 | OPRK1 (0.46) | OPRK1SIGMAR1ALDH1A1SMN1; SMN2OPRM1 | |
| SCHEMBL17346060 | 0.87 | OPRK1 (0.41) | OPRK1SIGMAR1BCHEKCNH2ALDH1A1 | |
| SCHEMBL17346092 | 0.78 | REN (0.43) | KCNH2ALDH1A1TSHRRENVEGFA | |
| SCHEMBL17346397 | 0.78 | KCNH2 (0.36) | KCNH2RENVEGFAEGLN1 | |
| SCHEMBL17346334 | 0.78 | — | — | |
| SCHEMBL17346181 | 0.78 | — | — | |
| SCHEMBL17345892 | 0.77 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL17346376 | 0.77 | ALDH1A1 (0.39) | SIGMAR1BCHEALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL17346229 | 0.77 | MAOB (0.43) | OPRK1BCHEKCNH2TSHRSLC6A2 | |
| SCHEMBL17346303 | 0.77 | CARM1 (0.50) | SIGMAR1ALDH1A1TSHRLMNACYP3A4 |
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 | OPRK1 171/4885SIGMAR1 412/4885BCHE 1165/4885 |
| US-10550139-B2 | Polydentate ligands and their complexes for molecular catalysis | NANS, NCL, NCLN | OPRK1 171/4885SIGMAR1 412/4885BCHE 1165/4885 |
“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.