Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | SNCA | P37840 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | MMP1 | P03956 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 1/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.48 |
| ▸ | MMP8 | P22894 | 1/20 | 0.48 |
| ▸ | MMP13 | P45452 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Acetone SCHEMBL4283217 | 0.98 | GAA (0.54) | GAALMNAALDH1A1SMN1; SMN2MAPT | |
| Water SCHEMBL16460263 | 0.93 | GAA (0.59) | GAALMNAALDH1A1SMN1; SMN2MAPT | |
| Water SCHEMBL31139173 | 0.93 | GAA (0.59) | GAALMNAALDH1A1SMN1; SMN2MAPT | |
| Water SCHEMBL28246842 | 0.93 | GAA (0.59) | GAALMNAALDH1A1SMN1; SMN2MAPT | |
| Water SCHEMBL214962 | 0.93 | GAA (0.59) | GAALMNAALDH1A1SMN1; SMN2MAPT | |
| Water SCHEMBL4069335 | 0.93 | GAA (0.59) | GAALMNAALDH1A1SMN1; SMN2MAPT | |
| Water SCHEMBL5350 | 0.93 | GAA (0.59) | GAALMNAALDH1A1SMN1; SMN2MAPT | |
| Water SCHEMBL5512184 | 0.93 | GAA (0.59) | GAALMNAALDH1A1SMN1; SMN2MAPT | |
| Water SCHEMBL1160667 | 0.93 | GAA (0.59) | GAALMNAALDH1A1SMN1; SMN2MAPT | |
| Acetic Acid SCHEMBL443433 | 0.91 | SMN1; SMN2 (0.52) | GAALMNAALDH1A1SMN1; SMN2MAPT |
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-110730771-B | 13-Oxomoingenol derivatives and uses thereof | 津药达仁堂集团股份有限公司中药研究院 | 2022-12-30 | — | — | CN | disclosed |
| CN-110730771-A | 13-Oxyodendron diterpene alcohol derivatives and uses thereof | 天津中新药业集团股份有限公司研究院分公司 | 2020-01-24 | — | — | CN | disclosed |
| CN-107011167-A | The method for preparing the angelate of ingenol 3 | 利奥实验室有限公司 | 2017-08-04 | — | — | CN | disclosed |
| US-8614218-B2 | Fused bicyclic pyrimidines | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-12-24 | — | — | US | disclosed |
| EP-2188291-B1 | FUSED BICYCLIC PYRIMIDINES | Bayer Pharma AG (DE) | 2012-09-19 | — | — | EP | disclosed |
| US-7776864-B2 | Fused bicyclic pyrimidines | BAYER SCHERING PHARMA AG (DE) | 2010-08-17 | — | — | US | disclosed |
| US-20100184782-A1 | FUSED BICYCLIC PYRIMIDINES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2010-07-22 | — | — | US | disclosed |
| EP-2188291-A2 | FUSED BICYCLIC PYRIMIDINES | Bayer Schering Pharma Aktiengesellschaft (DE) | 2010-05-26 | — | — | EP | disclosed |
| US-20090137607-A1 | FUSED BICYCLIC PYRIMIDINES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2009-05-28 | — | — | US | disclosed |
| WO-2009021992-A2 | FUSED BICYCLIC PYRIMIDINES | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-02-19 | — | — | WO | disclosed |
| EP-0997455-A1 | Restricted 9-cis retenoids | American Cyanamid Company (US) | 2000-05-03 | — | — | EP | disclosed |
| US-5968908-A | Restricted 9-cis retinoids | AMERICAN CYANAMID COMPANY (US) | 1999-10-19 | — | — | US | disclosed |
| EP-0718285-A2 | Restricted 9-cis-retinoids | American Cyanamid Company (US) | 1996-06-26 | — | — | EP | 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-20090137607-A1 | FUSED BICYCLIC PYRIMIDINES | PIK3CA, TYMS, MTOR | GAA 4289/4885LMNA 4281/4885ALDH1A1 3182/4885 |
| US-20100184782-A1 | FUSED BICYCLIC PYRIMIDINES | PIK3CA, TYMS, MTOR | GAA 4289/4885LMNA 4281/4885ALDH1A1 3182/4885 |
“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.