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 | |
|---|---|---|---|---|
| ▸ | PLG | P00747 | 1/20 | 0.56 |
| ▸ | PLAT | P00750 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | NCF1 | P14598 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | GABRR1 | P24046 | 4/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL5502506 | 0.91 | — | — | |
| Acetic Acid SCHEMBL5042448 | 0.87 | PLG (0.47) | PLGPLATLMNACYP2D6EPHX2 | |
| SCHEMBL349407 | 0.85 | — | — | |
| SCHEMBL1690246 | 0.85 | — | — | |
| SCHEMBL717649 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL28710414 | 0.83 | NCF1 (0.46) | PLGPLATLMNACYP2D6EPHX2 | |
| Formic Acid SCHEMBL29242885 | 0.82 | PLG (0.45) | PLGPLATLMNACYP2D6EPHX2 | |
| Acetic Acid SCHEMBL5042566 | 0.81 | CYP2D6 (0.59) | PLGPLATLMNACYP2D6NCF1 | |
| Tranexamic Acid SCHEMBL29255943 | 0.80 | PLG (0.87) | PLGPLATLMNACYP2D6NCF1 | |
| Bicarbonate SCHEMBL25270175 | 0.80 | PLG (0.71) | PLGPLATLMNACYP2D6NCF1 |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4216713-B2 | — | — | 2009-01-28 | — | — | JP | claimed |
| EP-1554237-A4 | METHODS FOR SYNTHESIS OF ACYLOXYALKYL DERIVATIVES OF GABA ANALOGS | XENOPORT INC (US) | 2006-11-02 | — | — | EP | claimed |
| EP-1554237-A1 | METHODS FOR SYNTHESIS OF ACYLOXYALKYL DERIVATIVES OF GABA ANALOGS | Xenoport, Inc. (US) | 2005-07-20 | — | — | EP | claimed |
| EP-1404324-A4 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | XENOPORT INC (US) | 2004-12-22 | — | — | EP | claimed |
| JP-2004536873-A | — | — | 2004-12-09 | — | — | JP | claimed |
| EP-1404324-A2 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | Xenoport, Inc. (US) | 2004-04-07 | — | — | EP | claimed |
| WO-2003104184-A1 | METHODS FOR SYNTHESIS OF ACYLOXYALKYL DERIVATIVES OF GABA ANALOGS | XENOPORT, INC. (US) | 2003-12-18 | — | — | WO | claimed |
| WO-2002100347-A2 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | XENOPORT, INC. (US) | 2002-12-19 | — | — | WO | claimed |
| EP-1608357-A4 | TREATING OR PREVENTING HOT FLASHES USING PRODRUGS OF GABA ANALOGS | XENOPORT INC (US) | 2008-03-26 | — | — | EP | disclosed |
| EP-1831207-A1 | AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE | Amgen Inc. (US) | 2007-09-12 | — | — | EP | disclosed |
| EP-1554237-A4 | METHODS FOR SYNTHESIS OF ACYLOXYALKYL DERIVATIVES OF GABA ANALOGS | XENOPORT INC (US) | 2006-11-02 | — | — | EP | disclosed |
| EP-1677812-A2 | TREATING OR PREVENTING RESTLESS LEGS SYNDROME USING PRODRUGS OF GABA ANALOGS | Xenoport, Inc. (US) | 2006-07-12 | — | — | EP | disclosed |
| WO-2006066172-A1 | AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE | AMGEN, INC. (US) | 2006-06-22 | — | — | WO | disclosed |
| EP-1608357-A2 | TREATING OR PREVENTING HOT FLASHES USING PRODRUGS OF GABA ANALOGS | Xenoport, Inc. (US) | 2005-12-28 | — | — | EP | disclosed |
| WO-2005027850-A2 | TREATING OR PREVENTING RESTLESS LEGS SYNDROME USING PRODRUGS OF GABA ANALOGS | XENOPORT, INC. (US) | 2005-03-31 | — | — | WO | disclosed |
| EP-1404310-A4 | ORALLY ADMINISTERED DOSAGE FORMS OF GABA ANALOG PRODRUGS HAVING REDUCED TOXICITY | XENOPORT INC (US) | 2005-01-12 | — | — | EP | disclosed |
| WO-2004089289-A2 | TREATING OR PREVENTING HOT FLASHES USING PRODRUGS OF GABA ANALOGS | XENOPORT, INC. (US) | 2004-10-21 | — | — | WO | disclosed |
| EP-1404310-A1 | ORALLY ADMINISTERED DOSAGE FORMS OF GABA ANALOG PRODRUGS HAVING REDUCED TOXICITY | Xenoport, Inc. (US) | 2004-04-07 | — | — | EP | disclosed |
| WO-2003104184-A1 | METHODS FOR SYNTHESIS OF ACYLOXYALKYL DERIVATIVES OF GABA ANALOGS | XENOPORT, INC. (US) | 2003-12-18 | — | — | WO | disclosed |
| WO-2002100392-A1 | ORALLY ADMINISTERED DOSAGE FORMS OF GABA ANALOG PRODRUGS HAVING REDUCED TOXICITY | XENOPORT, INC. (US) | 2002-12-19 | — | — | WO | disclosed |