Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | CASP1 | P29466 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | RAD52 | P43351 | 1/20 | 0.49 |
| ▸ | CASP7 | P55210 | 1/20 | 0.49 |
| ▸ | CASP6 | P55212 | 1/20 | 0.49 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.49 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | PGR | P06401 | 1/20 | 0.49 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | NQO2 | P16083 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5086556 | 0.97 | KDM4E (0.52) | KDM4ECASP1CYP1A2ALDH1A1TP53 | |
| SCHEMBL6280393 | 0.90 | HSP90AA1 (0.48) | KDM4ECASP1CYP1A2ALDH1A1TP53 | |
| SCHEMBL4727368 | 0.90 | HSP90AA1 (0.48) | KDM4ECASP1CYP1A2ALDH1A1TP53 | |
| SCHEMBL6280385 | 0.90 | HSP90AA1 (0.48) | KDM4ECASP1CYP1A2ALDH1A1TP53 | |
| SCHEMBL5086470 | 0.88 | HSP90AA1 (0.46) | KDM4ECASP1CYP1A2ALDH1A1TP53 | |
| SCHEMBL4727369 | 0.86 | KDM4E (0.48) | KDM4ECASP1CYP1A2ALDH1A1TP53 | |
| SCHEMBL5080647 | 0.85 | MAOA (0.66) | KDM4ECASP1CYP1A2ALDH1A1TP53 | |
| SCHEMBL6268435 | 0.81 | KDM4E (0.47) | KDM4ECASP1CYP1A2ALDH1A1TP53 | |
| SCHEMBL6276764 | 0.79 | KDM4E (0.46) | KDM4ECASP1CYP1A2ALDH1A1TP53 | |
| SCHEMBL5086463 | 0.79 | HSP90AA1 (0.51) | KDM4ECASP1CYP1A2ALDH1A1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008021210-A2 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS | COMBINATORX, INCORPORATED (US) | 2008-02-21 | — | — | WO | disclosed |
| US-20080044390-A1 | Methods and compositions for the treatment of neurodegenerative disorders | CHDI, INCORPORATED | 2008-02-21 | — | — | US | disclosed |
| US-6979740-B2 | Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents | NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH (IN) | 2005-12-27 | — | — | US | disclosed |
| US-20040192724-A1 | Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents | NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH DEPARTMENT OF PHARMACEUTICAL TECHNOLOGY (IN) | 2004-09-30 | — | — | 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 (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-20040192724-A1 | Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents | QDPR, SLC11A2, CYP2C8 | KDM4E 64/4885CASP1 343/4885CYP1A2 66/4885 |
| US-20080044390-A1 | Methods and compositions for the treatment of neurodegenerative disorders | HTT, SNCA, NLN | KDM4E 3242/4885CASP1 1680/4885CYP1A2 4587/4885 |
“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.