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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 6/20 | 0.44 |
| ▸ | KLK7 | P49862 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 SCHEMBL4755059 | 0.83 | LMNA (0.48) | ALDH1A1OPRK1SMN1; SMN2TSHRLMNA | |
| Acetic Acid SCHEMBL4754474 | 0.80 | LMNA (0.53) | ALDH1A1OPRK1SMN1; SMN2LMNAEPHX1 | |
| SCHEMBL4339005 | 0.80 | TSHR (0.52) | ALDH1A1OPRK1SMN1; SMN2TSHRLMNA | |
| Acetic Acid SCHEMBL5145744 | 0.78 | LMNA (0.51) | ALDH1A1OPRK1SMN1; SMN2LMNAEPHX1 | |
| SCHEMBL771095 | 0.78 | TSHR (0.59) | ALDH1A1CYP3A4TSHRLMNAEPHX1 | |
| SCHEMBL4347373 | 0.77 | LMNA (0.55) | ALDH1A1OPRK1SMN1; SMN2LMNAEPHX1 | |
| SCHEMBL20895760 | 0.77 | ALDH1A1 (0.62) | ALDH1A1CYP3A4SMN1; SMN2LMNAPOLB | |
| Acetic Acid SCHEMBL4757552 | 0.76 | LMNA (0.46) | ALDH1A1OPRK1SMN1; SMN2LMNAEPHX1 | |
| Bicarbonate SCHEMBL3256726 | 0.76 | LMNA (0.54) | ALDH1A1OPRK1SMN1; SMN2LMNAEPHX1 | |
| SCHEMBL20895767 | 0.75 | ALDH1A1 (0.59) | ALDH1A1CYP3A4SMN1; SMN2LMNAPOLB |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1569895-A4 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | XENOPORT INC (US) | 2007-07-11 | — | — | EP | disclosed |
| EP-1569895-A1 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | Xenoport, Inc. (US) | 2005-09-07 | — | — | EP | disclosed |
| EP-1404324-A4 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | XENOPORT INC (US) | 2004-12-22 | — | — | EP | disclosed |
| EP-1485082-A1 | METHODS FOR SYNTHESIS OF PRODRUGS FROM 1-ACYL-ALKYL DERIVATIVES AND COMPOSITIONS THEREOF | Xenoport, Inc. (US) | 2004-12-15 | — | — | EP | disclosed |
| WO-2004052844-A1 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | XENOPORT, INC. (US) | 2004-06-24 | — | — | WO | disclosed |
| EP-1404324-A2 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | Xenoport, Inc. (US) | 2004-04-07 | — | — | EP | disclosed |
| WO-2003077902-A1 | METHODS FOR SYNTHESIS OF PRODRUGS FROM 1-ACYL-ALKYL DERIVATIVES AND COMPOSITIONS THEREOF | XENOPORT, INC. (US) | 2003-09-25 | — | — | WO | disclosed |
| WO-2002100347-A2 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | XENOPORT, INC. (US) | 2002-12-19 | — | — | WO | disclosed |