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 | |
|---|---|---|---|---|
| ▸ | NOS1 known ✓ | P29475 | 2/20 | 0.55 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.53 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.85 |
| ▸ | LMNA | P02545 | 2/20 | 0.76 |
| ▸ | GAA | P10253 | 1/20 | 0.76 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.66 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.62 |
| ▸ | CES1 | P23141 | 2/20 | 0.59 |
| ▸ | NQO2 | P16083 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 2/20 | 0.57 |
| ▸ | CA2 | P00918 | 2/20 | 0.57 |
| ▸ | CES2 | O00748 | 1/20 | 0.56 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL27858599 | 0.92 | TSHR (0.92) | TSHRLMNAGAAMAPK1TDP1 | |
| SCHEMBL260727 | 0.92 | TSHR (1.00) | TSHRLMNAGAAMAPK1TDP1 | |
| Terephthalamide SCHEMBL27950892 | 0.92 | TSHR (1.00) | TSHRLMNAGAAMAPK1TDP1 | |
| Hydrochloric Acid SCHEMBL11203029 | 0.90 | TSHR (0.96) | TSHRLMNAGAAMAPK1TDP1 | |
| Hydrochloric Acid SCHEMBL27509957 | 0.88 | TSHR (0.92) | TSHRLMNAGAAMAPK1TDP1 | |
| Acetic Acid Methyl Ester SCHEMBL28099844 | 0.87 | TSHR (0.76) | TSHRLMNAGAAMAPK1TDP1 | |
| SCHEMBL5696165 | 0.86 | TSHR (0.88) | TSHRLMNAGAAMAPK1TDP1 | |
| Acetic Acid SCHEMBL27877969 | 0.85 | MAPK1 (0.71) | TSHRLMNAMAPK1TDP1CES1 | |
| SCHEMBL27554215 | 0.85 | TSHR (0.85) | TSHRLMNAGAAMAPK1TDP1 | |
| Acetic Acid SCHEMBL28719519 | 0.84 | MAPK1 (0.92) | TSHRLMNAGAAMAPK1TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105884699-B | 4- substituted aniline quinazoline derivative and its preparation method and application | 中国药科大学 | 2019-05-07 | — | — | CN | disclosed |
| CN-105884699-A | 4-substituted anilinoquinazoline derivatives, and preparation method and application thereof | 中国药科大学 | 2016-08-24 | — | — | CN | disclosed |