Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.43 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | NPY2R | P49146 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17346204 | 0.94 | HTT (0.47) | HTTALDH1A1SIGMAR1TSHRCALM1 | |
| SCHEMBL17346348 | 0.87 | BCHE (0.41) | HTTALDH1A1SIGMAR1MGLL | |
| SCHEMBL17346351 | 0.87 | BCHE (0.55) | HTTSIGMAR1CALM1CAMKK2 | |
| SCHEMBL17346300 | 0.84 | CYP2C19 (0.46) | HTTALDH1A1TSHRCALM1CAMKK2 | |
| SCHEMBL17346288 | 0.83 | CARM1 (0.49) | ALDH1A1SIGMAR1TSHRCALM1CAMKK2 | |
| SCHEMBL17345900 | 0.83 | SIGMAR1 (0.47) | ALDH1A1SIGMAR1TAAR1HTR2AHRH1 | |
| SCHEMBL17346327 | 0.82 | HTT (0.47) | HTTALDH1A1SIGMAR1TSHRCALM1 | |
| SCHEMBL24244319 | 0.82 | TAAR1 (0.54) | HTTALDH1A1SIGMAR1TSHRTAAR1 | |
| SCHEMBL10039137 | 0.82 | ALDH1A1 (0.58) | HTTALDH1A1SIGMAR1TSHRCALM1 | |
| SCHEMBL17346219 | 0.81 | HTT (0.49) | HTTALDH1A1SIGMAR1TSHRCALM1 |
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 | HTT 3387/4885ALDH1A1 862/4885SIGMAR1 412/4885 |
| US-10550139-B2 | Polydentate ligands and their complexes for molecular catalysis | NANS, NCL, NCLN | HTT 3387/4885ALDH1A1 862/4885SIGMAR1 412/4885 |
“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.