Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. 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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.82 |
| ▸ | MAPT | P10636 | 9/20 | 0.82 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.82 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.82 |
| ▸ | MEN1 | O00255 | 4/20 | 0.82 |
| ▸ | HPGD | P15428 | 4/20 | 0.82 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.82 |
| ▸ | HTT | P42858 | 2/20 | 0.82 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.82 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.82 |
| ▸ | HBB | P68871 | 1/20 | 0.82 |
| ▸ | LMNA | P02545 | 5/20 | 0.60 |
| ▸ | POLB | P06746 | 3/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | NPY5R | Q15761 | 3/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | RORC | P51449 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL6662236 | 0.94 | KDM4E (0.93) | KDM4EMAPTKMT2AALDH1A1MEN1 | |
| SCHEMBL37700 | 0.91 | MAPT (1.00) | KDM4EMAPTKMT2AALDH1A1MEN1 | |
| SCHEMBL29357684 | 0.91 | MAPT (1.00) | KDM4EMAPTKMT2AALDH1A1MEN1 | |
| Iodide SCHEMBL33722025 | 0.89 | MAPT (0.97) | KDM4EMAPTKMT2AALDH1A1MEN1 | |
| Water SCHEMBL28844053 | 0.89 | MAPT (0.97) | KDM4EMAPTKMT2AALDH1A1MEN1 | |
| Succinamide SCHEMBL9208547 | 0.89 | KDM4E (0.78) | KDM4EMAPTKMT2AALDH1A1MEN1 | |
| 1,2-Dichlorobenzene SCHEMBL28513476 | 0.84 | MAPT (0.85) | KDM4EMAPTKMT2AALDH1A1MEN1 | |
| Hydrochloric Acid SCHEMBL1128309 | 0.82 | KDM4E (0.63) | KDM4EMAPTKMT2AALDH1A1MEN1 | |
| SCHEMBL350783 | 0.82 | KDM4E (0.82) | KDM4EMAPTKMT2AALDH1A1MEN1 | |
| SCHEMBL29411076 | 0.82 | KDM4E (0.82) | KDM4EMAPTKMT2AALDH1A1MEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2260862-B1 | Compositions and methods for treating tumors presenting survivin antigens | MERCK PATENT GMBH (DE) | 2012-06-27 | — | — | EP | disclosed |
| EP-2260862-A1 | Compositions and methods for treating tumors presenting survivin antigens | Merck Patent GmbH (DE) | 2010-12-15 | — | — | EP | disclosed |
| EP-1931376-A2 | COMPOSITIONS AND METHODS FOR TREATING TUMORS PRESENTING SURVIVIN ANTIGENS | Merck Patent GmbH (DE) | 2008-06-18 | — | — | EP | disclosed |
| US-20070104689-A1 | Compositions and methods for treating tumors presenting survivin antigens | MERCK PATENT GMBH (DE) | 2007-05-10 | — | — | US | disclosed |
| WO-2007039192-A2 | COMPOSITIONS AND METHODS FOR TREATING TUMORS PRESENTING SURVIVIN ANTIGENS | MERCK PATENT GMBH (DE) | 2007-04-12 | — | — | WO | disclosed |