Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | SNCA | P37840 | 1/20 | 0.32 |
| ▸ | PTGIR | P43119 | 3/20 | 0.32 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
| ▸ | KDR | P35968 | 1/20 | 0.30 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.30 |
| ▸ | TEK | Q02763 | 1/20 | 0.30 |
| ▸ | RORC | P51449 | 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 | |
|---|---|---|---|---|
| SCHEMBL28515028 | 0.91 | ESR1 (0.43) | ESR1ESR2SNCAPTGIRPTGDR | |
| SCHEMBL2152374 | 0.91 | ESR1 (0.51) | ESR1ESR2SNCAKDM4ELMNA | |
| SCHEMBL28522927 | 0.90 | ESR1 (0.52) | ESR1ESR2PTGIRPTGDRKDM4E | |
| SCHEMBL28517970 | 0.88 | ESR1 (0.40) | ESR1ESR2PTGIRPTGDRRORC | |
| SCHEMBL28515812 | 0.85 | ESR1 (0.41) | ESR1ESR2RORC | |
| SCHEMBL2158816 | 0.84 | ESR1 (0.41) | ESR1ESR2KDM4ELMNAHSD17B10 | |
| SCHEMBL21200953 | 0.78 | ESR1 (0.40) | ESR1ESR2PTGIR | |
| SCHEMBL28239843 | 0.77 | ALDH1A1 (0.38) | ESR1ESR2RORC | |
| SCHEMBL29091787 | 0.76 | ESR1 (0.36) | ESR1ESR2RORC | |
| SCHEMBL25422045 | 0.76 | ESR1 (0.36) | ESR1ESR2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3299369-B1 | PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF | SHANGHAI INST MATERIA MEDICA CAS (CN) | 2020-11-11 | — | — | EP | disclosed |
| CN-107709320-B | Pyrido-nitrogen heterocyclic compound and preparation method and application thereof | 中国科学院上海药物研究所 | 2020-11-06 | — | — | CN | disclosed |
| US-10710996-B2 | Pyrido-azaheterecydic compound and preparation method and use thereof | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2020-07-14 | — | — | US | disclosed |
| US-20180244667-A1 | PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2018-08-30 | — | — | US | disclosed |
| EP-3299369-A1 | PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2018-03-28 | — | — | EP | disclosed |
| CN-106279147-A | A kind of pyrido nitrogen heterocyclic and its production and use | 中国科学院上海药物研究所 | 2017-01-04 | — | — | CN | 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-20180244667-A1 | PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF | MET, MERTK, DMPK | ESR1 2555/4885ESR2 3785/4885CES2 3551/4885 |
| US-10710996-B2 | Pyrido-azaheterecydic compound and preparation method and use thereof | MET, MERTK, DMPK | ESR1 2555/4885ESR2 3785/4885CES2 3551/4885 |
“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.