Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10539582 | 0.88 | SMN1; SMN2 (0.47) | CES2CES1ALDH1A1HPGDTP53 | |
| SCHEMBL7766866 | 0.86 | TSHR (0.59) | ALDH1A1TP53TSHRNPC1L3MBTL1 | |
| SCHEMBL28189022 | 0.85 | HPGD (0.51) | CES2CES1ALDH1A1HPGDTP53 | |
| SCHEMBL29262199 | 0.84 | ADRB2 (0.46) | CES2CES1ALDH1A1HPGDADRB2 | |
| SCHEMBL27683330 | 0.84 | ADRB2 (0.48) | CES2CES1ALDH1A1HPGDADRB2 | |
| SCHEMBL2153551 | 0.84 | CES2 (0.62) | CES2CES1ALDH1A1HPGDPOLB | |
| SCHEMBL28189006 | 0.84 | HPGD (0.50) | CES2CES1ALDH1A1HPGDTP53 | |
| Propionic Acid SCHEMBL28600397 | 0.81 | TSHR (0.53) | ALDH1A1TP53TSHRNPC1L3MBTL1 | |
| SCHEMBL6518565 | 0.81 | CES2 (0.54) | CES2CES1ALDH1A1HPGDADRB2 | |
| SCHEMBL28728908 | 0.79 | CES2 (0.52) | CES2CES1ALDH1A1HPGDADRB2 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107876092-A | The high stability titanium catalyst of ester exchange carbonate synthesis benzene methyl and diphenyl carbonate | 华东理工大学 | 2018-04-06 | — | — | CN | claimed |
| CN-107417719-A | A kind of titanium chelate catalyst for being used for carbonate synthesis benzene methyl and diphenyl carbonate | 华东理工大学 | 2017-12-01 | — | — | CN | claimed |
| CN-102516210-A | Preparation method of 2,3-dicyanofuran compound | UNIV EAST CHINA SCIENCE & TECH | 2012-06-27 | — | — | CN | claimed |
| CN-107876092-A | The high stability titanium catalyst of ester exchange carbonate synthesis benzene methyl and diphenyl carbonate | 华东理工大学 | 2018-04-06 | — | — | CN | disclosed |
| CN-107417719-A | A kind of titanium chelate catalyst for being used for carbonate synthesis benzene methyl and diphenyl carbonate | 华东理工大学 | 2017-12-01 | — | — | CN | disclosed |
| CN-105777640-A | Pyrazole cyclohexanediol ether compounds and applications thereof | 沈阳中化农药化工研发有限公司 | 2016-07-20 | — | — | CN | disclosed |
| CN-102516210-A | Preparation method of 2,3-dicyanofuran compound | UNIV EAST CHINA SCIENCE & TECH | 2012-06-27 | — | — | CN | disclosed |
| US-7842712-B2 | Indazolinone compositions useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-11-30 | — | — | US | disclosed |
| US-20090048250-A1 | INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED | 2009-02-19 | — | — | US | disclosed |
| US-7262200-B2 | Indazolinone compositions useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-08-28 | — | — | US | disclosed |
| CN-1976892-A | Substituted enaminones, their derivatives and their use | UNIV CALIFORNIA (US) | 2007-06-06 | — | — | CN | disclosed |
| US-20040167121-A1 | Indazolinone compositions useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED | 2004-08-26 | — | — | US | disclosed |
| WO-2004037814-A1 | INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-05-06 | — | — | 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 (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-20040167121-A1 | Indazolinone compositions useful as kinase inhibitors | LCK, CDK2, CILK1 | CES2 4704/4885CES1 4191/4885ALDH1A1 4153/4885 |
| US-20090048250-A1 | INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS | LCK, CDK2, MKNK2 | CES2 4726/4885CES1 4360/4885ALDH1A1 4243/4885 |
“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.