Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | DHODH | Q02127 | 3/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.34 |
| ▸ | PTGES | O14684 | 1/20 | 0.34 |
| ▸ | AGPAT2 | O15120 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | CTSA | P10619 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2853820 | 0.89 | DHODH (0.39) | CASP1DHODHP2RX7PTGESAGPAT2 | |
| SCHEMBL462432 | 0.78 | CASP1 (0.51) | CASP1P2RX7ALDH1A1HPGDCYP1A2 | |
| SCHEMBL15918134 | 0.75 | CASP1 (0.56) | CASP1DHODHALDH1A1HPGDPOLB | |
| SCHEMBL15917982 | 0.72 | CASP1 (0.61) | CASP1ALDH1A1HPGDCYP1A2CYP3A4 | |
| SCHEMBL2853204 | 0.71 | CASP1 (0.57) | CASP1ALDH1A1CTSAHPGD | |
| SCHEMBL15917648 | 0.71 | CASP1 (0.58) | CASP1ALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL19423065 | 0.70 | CASP1 (0.55) | CASP1ALDH1A1POLBSMN1; SMN2LMNA | |
| SCHEMBL17331586 | 0.69 | CASP1 (0.50) | CASP1DHODHALDH1A1HPGDCYP1A2 | |
| SCHEMBL9901550 | 0.69 | CCR1 (0.56) | DHODHP2RX7PTGESTP53CYP3A4 | |
| SCHEMBL2855426 | 0.69 | CASP1 (0.56) | CASP1ALDH1A1HPGDMAPK1LMNA |
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 9 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 | claimed |
| EP-1924558-B1 | AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF | COUNCIL SCIENT IND RES (IN) | 2010-01-13 | — | — | EP | claimed |
| EP-1924558-A1 | AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2008-05-28 | — | — | EP | claimed |
| WO-2007032016-A1 | AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2007-03-22 | — | — | WO | claimed |
| 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 |
| EP-1924558-B1 | AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF | COUNCIL SCIENT IND RES (IN) | 2010-01-13 | — | — | EP | disclosed |
| EP-1924558-A1 | AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2008-05-28 | — | — | EP | 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 |
| WO-2007032016-A1 | AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2007-03-22 | — | — | 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 (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 | CASP1 931/4885DHODH 49/4885P2RX7 860/4885 |
“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.