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 | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 10/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.63 |
| ▸ | CA9 | Q16790 | 3/20 | 0.63 |
| ▸ | CA12 | O43570 | 2/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.63 |
| ▸ | NT5E | P21589 | 1/20 | 0.63 |
| ▸ | CA1 | P00915 | 1/20 | 0.60 |
| ▸ | CA3 | P07451 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | CA4 | P22748 | 1/20 | 0.60 |
| ▸ | CA6 | P23280 | 1/20 | 0.60 |
| ▸ | CA5A | P35218 | 1/20 | 0.60 |
| ▸ | CA7 | P43166 | 1/20 | 0.60 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.60 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.60 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | MAOA | P21397 | 4/20 | 0.58 |
| ▸ | HPGD | P15428 | 3/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL8424367 | 0.95 | MAOB (0.62) | MAOBKDM4ECA9CA12CYP1A2 | |
| SCHEMBL31418947 | 0.91 | HPGD (0.60) | MAOBKDM4ECA9CA12CYP1A2 | |
| SCHEMBL30023 | 0.91 | HPGD (0.60) | MAOBKDM4ECA9CA12CYP1A2 | |
| Methacrylic Acid SCHEMBL31073510 | 0.91 | MAOB (0.56) | MAOBKDM4ECA9CA12CYP1A2 | |
| Ammonia Solution, Strong SCHEMBL27428848 | 0.89 | HPGD (0.58) | MAOBKDM4ECA9CA12CYP1A2 | |
| Hydrochloric Acid SCHEMBL2291019 | 0.89 | HPGD (0.58) | MAOBKDM4ECA9CA12CYP1A2 | |
| Acetic Acid SCHEMBL3657787 | 0.86 | MAOB (0.56) | MAOBKDM4ECA9CA12CYP1A2 | |
| Phosphonic Acid SCHEMBL28608612 | 0.86 | HPGD (0.56) | MAOBKDM4ECA9CA12CYP1A2 | |
| 3-Hydroxycoumarin SCHEMBL6401867 | 0.83 | HPGD (0.83) | MAOBKDM4ECA9CA12CYP1A2 | |
| Pyrene SCHEMBL28909258 | 0.83 | HSD17B3 (0.56) | MAOBKDM4ECA9CA12CYP1A2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102243176-B | Method for eliminating screened drug false positive by in vitro molecular level fluorescence method | INST PHARM & TOXICOLOGY AMMS | 2013-11-20 | — | — | CN | claimed |
| CN-102243176-A | Method for eliminating screened drug false positive by in vitro molecular level fluorescence method | INST PHARM & TOXICOLOGY AMMS | 2011-11-16 | — | — | CN | claimed |
| CN-102243176-B | Method for eliminating screened drug false positive by in vitro molecular level fluorescence method | INST PHARM & TOXICOLOGY AMMS | 2013-11-20 | — | — | CN | disclosed |
| EP-2576817-A1 | METHODS AND USES RELATING TO THE IDENTIFICATION OF COMPOUND INVOLVED IN PAIN AS WELL AS METHODS OF DIAGNOSING ALGESIA | SANOFI (FR) | 2013-04-10 | — | — | EP | disclosed |
| EP-2576819-A1 | METHODS AND USES RELATING TO THE IDENTIFICATION OF COMPOUND INVOLVED IN PAIN AS WELL AS METHODS OF DIAGNOSING ALGESIA | SANOFI (FR) | 2013-04-10 | — | — | EP | disclosed |
| WO-2011147850-A1 | METHODS AND USES RELATING TO THE IDENTIFICATION OF COMPOUND INVOLVED IN PAIN AS WELL AS METHODS OF DIAGNOSING ALGESIA | SANOFI-AVENTIS (FR) | 2011-12-01 | — | — | WO | disclosed |
| WO-2011147851-A1 | METHODS AND USES RELATING TO THE IDENTIFICATION OF COMPOUND INVOLVED IN PAIN AS WELL AS METHODS OF DIAGNOSING ALGESIA | SANOFI-AVENTIS (FR) | 2011-12-01 | — | — | WO | disclosed |
| CN-102243176-A | Method for eliminating screened drug false positive by in vitro molecular level fluorescence method | INST PHARM & TOXICOLOGY AMMS | 2011-11-16 | — | — | CN | disclosed |
| EP-0870055-A2 | METHOD FOR DETECTING MULTIPLE COPIES OF A REPEAT SEQUENCE IN A NUCLEIC ACID MOLECULE | LANSDORP, Peter, M. (CA) | 1998-10-14 | — | — | EP | disclosed |
| WO-1997014026-A2 | METHOD FOR DETECTING MULTIPLE COPIES OF A REPEAT SEQUENCE IN A NUCLEIC ACID MOLECULE | DAKO A/S (DK) | 1997-04-17 | — | — | WO | disclosed |