Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | HPGD | P15428 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | APEX1 | P27695 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | MPI | P34949 | 1/20 | 0.35 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL17728865 | 1.00 | ALDH1A1 (0.53) | ALDH1A1HPGDKDM4ELMNAGAA | |
| SCHEMBL17739703 | 0.83 | KDM4E (0.48) | ALDH1A1HPGDKDM4ELMNAGAA | |
| SCHEMBL31237477 | 0.82 | ALDH1A1 (0.50) | ALDH1A1HPGDKDM4ELMNAGAA | |
| Viscidone SCHEMBL6266796 | 0.81 | POLB (0.63) | ALDH1A1HPGDKDM4ELMNAGAA | |
| Viscidone SCHEMBL29388492 | 0.81 | POLB (0.63) | ALDH1A1HPGDKDM4ELMNAGAA | |
| SCHEMBL10636325 | 0.75 | LTB4R (0.51) | ALDH1A1HPGDCYP3A4TDP1 | |
| Tremetone SCHEMBL4743839 | 0.75 | POLB (0.75) | ALDH1A1HPGDKDM4ELMNAGAA | |
| Tremetone SCHEMBL4743840 | 0.75 | POLB (0.75) | ALDH1A1HPGDKDM4ELMNAGAA | |
| SCHEMBL9764777 | 0.72 | NFKB1 (0.46) | ALDH1A1HPGDMAPK1CYP3A4TDP1 | |
| SCHEMBL30991577 | 0.70 | CYP4F2 (0.59) | ALDH1A1HPGDPOLBCYP3A4TDP1 |
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-9663453-B2 | Metabolites and oximes with vasodilator and hypotensive activity | UNIVERSIDAD DE ANTOFAGASTA (CL) | 2017-05-30 | — | — | US | disclosed |
| US-9663453-B2 | Metabolites and oximes with vasodilator and hypotensive activity | UNIVERSIDAD DE ANTOFAGASTA (CL) | 2017-05-30 | — | — | US | disclosed |
| US-20160130219-A1 | METABOLITES AND OXIMES WITH VASODILATOR AND HYPOTENSIVE ACTIVITY | UNIVERSIDAD DE ANTOFAGASTA (CL) | 2016-05-12 | — | — | US | disclosed |
| US-20160130219-A1 | METABOLITES AND OXIMES WITH VASODILATOR AND HYPOTENSIVE ACTIVITY | UNIVERSIDAD DE ANTOFAGASTA (CL) | 2016-05-12 | — | — | 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-20160130219-A1 | METABOLITES AND OXIMES WITH VASODILATOR AND HYPOTENSIVE ACTIVITY | PTGIS, ACHE, VASP | ALDH1A1 4052/4885HPGD 147/4885KDM4E 1261/4885 |
“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.