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 | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 2/20 | 0.41 |
| ▸ | CHRNA3 known ✓ | P32297 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | PPM1D | O15297 | 1/20 | 0.43 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10599324 | 0.91 | ALDH1A1 (0.50) | ALDH1A1KMT2AMEN1TDP1NPSR1 | |
| SCHEMBL26144484 | 0.78 | SLC6A2 (0.45) | KMT2ASLC6A2SLC6A4CYP26A1SLC6A3 | |
| SCHEMBL17683862 | 0.76 | HTT (0.44) | ALDH1A1KMT2AMEN1TDP1NPSR1 | |
| Acetic Acid SCHEMBL11160294 | 0.76 | SMN1; SMN2 (0.53) | KMT2AMEN1TDP1SMN1; SMN2GAA | |
| SCHEMBL26144485 | 0.75 | AKR1C3 (0.44) | KMT2ASLC6A2SLC6A4RAB9ACYP26A1 | |
| Acetic Acid SCHEMBL8749452 | 0.75 | KMT2A (0.58) | KMT2AMEN1SLC6A2SLC6A4SMN1; SMN2 | |
| SCHEMBL60106 | 0.74 | ALDH1A1 (0.50) | ALDH1A1KMT2AMEN1TDP1NPSR1 | |
| SCHEMBL7298560 | 0.74 | PPM1D (0.53) | ALDH1A1KMT2ARAB9APPM1D | |
| SCHEMBL29706735 | 0.74 | ALDH1A1 (0.50) | ALDH1A1KMT2AMEN1TDP1NPSR1 | |
| SCHEMBL28022009 | 0.74 | GBA1 (0.58) | SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3702419-B1 | REVERSIBLE THERMOCHROMIC AQUEOUS INK COMPOSITION AND WRITING INSTRUMENT USING SAME | KK PILOT CORPORATION ALSO TRADING AS PILOT CORPORATION (JP) | 2023-09-20 | — | — | EP | disclosed |
| WO-2023085225-A1 | METHOD FOR MANUFACTURING RECYCLED RESIN COMPOSITION | 住友化学株式会社 | 2023-05-19 | — | — | WO | disclosed |
| US-11267978-B2 | Reversibly thermochromic aqueous ink composition and writing instrument using the same | KABUSHIKI KAISHA PILOT CORPORATION (JP) | 2022-03-08 | — | — | US | disclosed |
| US-20200325351-A1 | REVERSIBLY THERMOCHROMIC AQUEOUS INK COMPOSITION AND WRITING INSTRUMENT USING THE SAME | KABUSHIKI KAISHA PILOT CORPORATION (ALSO TRADING AS PILOT CORPORATION) (JP) | 2020-10-15 | — | — | US | disclosed |
| EP-3702419-A1 | REVERSIBLE THERMOCHROMIC AQUEOUS INK COMPOSITION AND WRITING INSTRUMENT USING SAME | Kabushiki Kaisha Pilot Corporation (also trading as Pilot Corporation) (JP) | 2020-09-02 | — | — | EP | disclosed |