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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 2/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.31 |
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 SCHEMBL30455783 | 0.97 | FFAR3 (0.41) | FFAR3LCKFYNCYP2C19ALDH1A1 | |
| Acetic Acid SCHEMBL30455781 | 0.97 | FFAR3 (0.41) | FFAR3LCKFYNCYP2C19ALDH1A1 | |
| Acetic Acid SCHEMBL27768285 | 0.97 | FFAR3 (0.41) | FFAR3LCKFYNCYP2C19ALDH1A1 | |
| Acetone SCHEMBL9169110 | 0.88 | LMNA (0.38) | FFAR3CYP2C19ALDH1A1SMN1; SMN2NPSR1 | |
| Bicarbonate SCHEMBL6243183 | 0.84 | CYP2C19 (0.40) | FFAR3CYP2C19ALDH1A1SMN1; SMN2AKR1C1 | |
| Bicarbonate SCHEMBL28681892 | 0.84 | CYP2C19 (0.40) | FFAR3CYP2C19ALDH1A1SMN1; SMN2AKR1C1 | |
| Methacrylic Acid SCHEMBL18421863 | 0.84 | TDP1 (0.33) | FFAR3SMN1; SMN2 | |
| Methacrylic Acid SCHEMBL14693728 | 0.84 | TDP1 (0.33) | FFAR3SMN1; SMN2 | |
| Methacrylic Acid SCHEMBL1930431 | 0.82 | CYP2C19 (0.32) | CYP2C19ALDH1A1SMN1; SMN2USP2LMNA | |
| Methacrylic Acid SCHEMBL6081821 | 0.82 | CYP2C19 (0.32) | CYP2C19ALDH1A1SMN1; SMN2USP2LMNA |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6008398-A | Non-nucleotide phosphorus ester oligomers | GENZYME CORPORATION (US) | 1999-12-28 | — | — | US | disclosed |
| US-5919965-A | Non-nucleotide phosphorus ester oligomers | GENZYME CORPORATION (US) | 1999-07-06 | — | — | US | disclosed |
| EP-0880532-A4 | NON-NUCLEOTIDE PHOSPHOROUS ESTER OLIGOMERS | PHARMAGENICS INC (US) | 1999-06-09 | — | — | EP | disclosed |
| EP-0880532-A1 | NON-NUCLEOTIDE PHOSPHOROUS ESTER OLIGOMERS | PHARMAGENICS, INC. (US) | 1998-12-02 | — | — | EP | disclosed |
| EP-0804443-A4 | NON-NUCLEOTIDE PHOSPHORUS ESTER OLIGOMERS | PHARMAGENICS INC (US) | 1998-04-29 | — | — | EP | disclosed |
| EP-0804443-A1 | NON-NUCLEOTIDE PHOSPHORUS ESTER OLIGOMERS | PHARMAGENICS, INC. (US) | 1997-11-05 | — | — | EP | disclosed |
| WO-1997028168-A1 | NON-NUCLEOTIDE PHOSPHOROUS ESTER OLIGOMERS | PHARMAGENICS, INC. (US) | 1997-08-07 | — | — | WO | disclosed |
| WO-1996022297-A9 | NON-NUCLEOTIDE PHOSPHORUS ESTER OLIGOMERS | — | 1996-10-03 | — | — | WO | disclosed |
| WO-1996022297-A1 | NON-NUCLEOTIDE PHOSPHORUS ESTER OLIGOMERS | PHARMAGENICS, INC. (US) | 1996-07-25 | — | — | WO | disclosed |