Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | ALKBH3 | Q96Q83 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | PTGES | O14684 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | SMO | Q99835 | 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 | |
|---|---|---|---|---|
| SCHEMBL2855535 | 0.95 | ALDH1A1 (0.44) | THRBALDH1A1DHODHALKBH3KDM1A | |
| SCHEMBL14400222 | 0.71 | THRB (0.65) | THRBALDH1A1HIF1AMAPTTP53 | |
| SCHEMBL2849018 | 0.70 | THRB (0.42) | THRBALDH1A1HIF1AMAPTTP53 | |
| SCHEMBL2853820 | 0.70 | DHODH (0.39) | DHODHMAPTKDM1APTGES | |
| SCHEMBL9901550 | 0.69 | CCR1 (0.56) | DHODHTP53CYP3A4KDM1APTGES | |
| SCHEMBL2851270 | 0.66 | CASP1 (0.47) | ALDH1A1DHODHMAPTTP53CYP3A4 | |
| SCHEMBL5792543 | 0.65 | THRB (0.64) | THRBALDH1A1HIF1AMAPTTP53 | |
| SCHEMBL439072 | 0.64 | KDM4E (0.43) | DHODHHIF1ATP53CYP3A4KDM1A | |
| SCHEMBL2849068 | 0.63 | THRB (0.40) | THRBALDH1A1HIF1AMAPTTP53 | |
| SCHEMBL2850977 | 0.62 | ALDH1A1 (0.41) | THRBALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7666883-B2 | 2-[(2-Chloro-5-methyl pyridine-3-yl)(hydroxy)methyl]acrylonitrile; against chloroquine sensitive and chloroquine resistant Plasmodium falciparum; treating malarial; chemical preparation | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2010-02-23 | — | — | US | disclosed |
| US-20070117822-A1 | Novel antimalarial baylis-hillman adducts and a process for the preparation thereof | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2007-05-24 | — | — | 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-20070117822-A1 | Novel antimalarial baylis-hillman adducts and a process for the preparation thereof | HBS1L, SSBP1, QARS1 | THRB 4830/4885ALDH1A1 1459/4885DHODH 49/4885 |
“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.