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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLG | P00747 | 1/20 | 0.47 |
| ▸ | PLAT | P00750 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | GABRR1 | P24046 | 4/20 | 0.34 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.34 |
| ▸ | ARG1 | P05089 | 2/20 | 0.34 |
| ▸ | ARG2 | P78540 | 2/20 | 0.34 |
| ▸ | TLR4 | O00206 | 1/20 | 0.33 |
| ▸ | NCF1 | P14598 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL5042547 | 0.88 | EPHX2 (0.42) | PLGPLATLMNAEPHX2CYP2D6 | |
| Acetic Acid SCHEMBL2338205 | 0.88 | EPHX2 (0.42) | PLGPLATLMNAEPHX2CYP2D6 | |
| Acetic Acid SCHEMBL3866040 | 0.88 | EPHX2 (0.42) | PLGPLATLMNAEPHX2CYP2D6 | |
| Acetic Acid SCHEMBL4359369 | 0.87 | PLG (0.56) | PLGPLATLMNAEPHX2EPHX1 | |
| SCHEMBL26297533 | 0.87 | — | — | |
| SCHEMBL18088636 | 0.87 | — | — | |
| SCHEMBL2666522 | 0.87 | — | — | |
| Acetic Acid SCHEMBL5502506 | 0.82 | — | — | |
| SCHEMBL23517820 | 0.78 | EPHX2 (0.48) | PLGPLATLMNAEPHX2NCF1 | |
| Acetic Acid SCHEMBL4098254 | 0.77 | FFAR3 (0.44) | EPHX1TLR4TDP1 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-2003104184-A1 | METHODS FOR SYNTHESIS OF ACYLOXYALKYL DERIVATIVES OF GABA ANALOGS | XENOPORT, INC. (US) | 2003-12-18 | — | — | WO | claimed |
| EP-1608357-A4 | TREATING OR PREVENTING HOT FLASHES USING PRODRUGS OF GABA ANALOGS | XENOPORT INC (US) | 2008-03-26 | — | — | EP | disclosed |
| EP-1569895-A4 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | XENOPORT INC (US) | 2007-07-11 | — | — | 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 |
| EP-1670451-A1 | TREATING AND/OR PREVENTING URINARY INCONTINENCE USING PRODRUGS OF GABA ANALOGS | Xenoport, Inc. (US) | 2006-06-21 | — | — | EP | disclosed |
| EP-1608357-A2 | TREATING OR PREVENTING HOT FLASHES USING PRODRUGS OF GABA ANALOGS | Xenoport, Inc. (US) | 2005-12-28 | — | — | EP | disclosed |
| EP-1569895-A1 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | Xenoport, Inc. (US) | 2005-09-07 | — | — | EP | disclosed |
| EP-1554237-A1 | METHODS FOR SYNTHESIS OF ACYLOXYALKYL DERIVATIVES OF GABA ANALOGS | Xenoport, Inc. (US) | 2005-07-20 | — | — | EP | disclosed |
| WO-2005027850-A2 | TREATING OR PREVENTING RESTLESS LEGS SYNDROME USING PRODRUGS OF GABA ANALOGS | XENOPORT, INC. (US) | 2005-03-31 | — | — | WO | disclosed |
| WO-2005025562-A1 | TREATING AND/OR PREVENTING URINARY INCONTINENCE USING PRODRUGS OF GABA ANALOGS | XENOPORT, INC. (US) | 2005-03-24 | — | — | 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 |
| WO-2004052844-A1 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | XENOPORT, INC. (US) | 2004-06-24 | — | — | 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 |