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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 4/20 | 0.56 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.48 |
| ▸ | PAM | P19021 | 2/20 | 0.47 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.46 |
| ▸ | MGAM | O43451 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | SI | P14410 | 1/20 | 0.46 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL395290 | 0.96 | CYP1A2 (0.61) | CYP1A2TSHRSLC22A6PAMSMYD3 | |
| Hydrochloric Acid SCHEMBL2471944 | 0.93 | CYP1A2 (0.59) | CYP1A2TSHRSLC22A6PAMSMYD3 | |
| Ammonia Solution, Strong SCHEMBL27732708 | 0.93 | CYP1A2 (0.59) | CYP1A2TSHRSLC22A6PAMSMYD3 | |
| Acetic Acid SCHEMBL28197316 | 0.93 | CYP1A2 (0.64) | CYP1A2TSHRPAMSMYD3MGAM | |
| SCHEMBL30045898 | 0.92 | CYP1A2 (0.53) | CYP1A2TSHRSLC22A6PAMSMYD3 | |
| Adipic Acid SCHEMBL28193486 | 0.91 | CYP1A2 (0.61) | CYP1A2TSHRSLC22A6PAMAKR1B1 | |
| Adipic Acid SCHEMBL28193489 | 0.91 | CYP1A2 (0.61) | CYP1A2TSHRSLC22A6PAMAKR1B1 | |
| SCHEMBL391807 | 0.91 | CYP1A2 (0.61) | CYP1A2TSHRSLC22A6PAMAKR1B1 | |
| Dimethyl Succinate SCHEMBL28208950 | 0.91 | TSHR (0.68) | CYP1A2TSHRSLC22A6PAMSMYD3 | |
| SCHEMBL9444562 | 0.89 | CYP1A2 (0.59) | CYP1A2TSHRSLC22A6PAMTDP1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107759460-A | A kind of method for preparing the more acid monomers of polyphenyls | 朱翠英 | 2018-03-06 | — | — | CN | disclosed |
| CN-107698445-A | A kind of method for preparing the more formic acid analog derivatives of aromatic hydrocarbons | 朱翠英 | 2018-02-16 | — | — | CN | disclosed |
| CN-107698436-A | Method for preparing aromatic polycarboxylic acid derivative | 朱翠英 | 2018-02-16 | — | — | CN | disclosed |
| CN-107698437-A | A kind of method for preparing the more formic acid analog derivatives of aromatic hydrocarbons | 朱翠英 | 2018-02-16 | — | — | CN | disclosed |
| CN-107698438-A | A kind of method for preparing the more formic acid analog derivatives of aromatic hydrocarbons | 朱翠英 | 2018-02-16 | — | — | CN | disclosed |