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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLG | P00747 | 1/20 | 0.38 |
| ▸ | PLAT | P00750 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | APLNR | P35414 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | ARG1 | P05089 | 2/20 | 0.31 |
| ▸ | ARG2 | P78540 | 2/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
| ▸ | GABRR1 | P24046 | 4/20 | 0.30 |
| ▸ | GABRR2 | P28476 | 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 | |
|---|---|---|---|---|
| SCHEMBL660138 | 0.87 | NCF1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL7059996 | 0.84 | MEN1 (0.35) | LMNA | |
| Acetic Acid SCHEMBL5046791 | 0.77 | CYP2D6 (0.39) | PLGPLATLMNAAPLNRCYP2D6 | |
| SCHEMBL15289605 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL15270440 | 0.74 | — | — | |
| SCHEMBL3003968 | 0.74 | APLNR (0.39) | APLNRCYP2D6GABRR1 | |
| SCHEMBL19215712 | 0.74 | APLNR (0.34) | APLNR | |
| SCHEMBL15850473 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL12138548 | 0.72 | NCF1 (0.33) | — | |
| Acetic Acid SCHEMBL5502506 | 0.72 | — | — |
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 |