Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CHKA | P35790 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP4 | P49662 | 1/20 | 0.41 |
| ▸ | CASP5 | P51878 | 1/20 | 0.41 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.39 |
| ▸ | FNTA | P49354 | 1/20 | 0.38 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CCR9 | P51686 | 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 | |
|---|---|---|---|---|
| SCHEMBL14476620 | 0.90 | POLB (0.48) | KDM4EALDH1A1CHKASIGMAR1AGTR1 | |
| SCHEMBL14476560 | 0.81 | AGTR1 (0.42) | CHKAAGTR1CYP2D6CYP2C19POLB | |
| SCHEMBL14476247 | 0.79 | PLA2G7 (0.45) | CHKAHRH3AGTR1CCR9TP53 | |
| SCHEMBL14476842 | 0.78 | CCR9 (0.42) | CHKAAGTR1CYP2D6CYP2C19POLB | |
| SCHEMBL15653992 | 0.78 | CCR9 (0.56) | AGTR1POLBCCR9TP53 | |
| SCHEMBL14476627 | 0.75 | PLA2G7 (0.48) | CHKAAGTR1POLBPLA2G7 | |
| SCHEMBL14476621 | 0.75 | CCR9 (0.42) | CHKAAGTR1POLBCCR9TP53 | |
| SCHEMBL14476245 | 0.73 | MAPT (0.47) | KDM4EALDH1A1CCR9 | |
| SCHEMBL21620787 | 0.72 | ALDH1A1 (0.96) | KDM4EALDH1A1CHKAHRH3HRH4 | |
| SCHEMBL13574523 | 0.71 | ALDH1A1 (1.00) | KDM4EALDH1A1CHKAHRH3HRH4 |
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-20140171431-A1 | AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE | SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) | 2014-06-19 | — | — | US | disclosed |
| US-20140171431-A1 | AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE | SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) | 2014-06-19 | — | — | US | disclosed |
| EP-2725024-A1 | AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2014-04-30 | — | — | EP | disclosed |
| WO-2013000267-A1 | AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE | 中国科学院上海药物研究所 (CN) | 2013-01-03 | — | — | 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-20140171431-A1 | AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE | PLA2G5, LTA4H, PLA2G4A | KDM4E 2615/4885ALDH1A1 608/4885CHKA 1520/4885 |
“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.