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 | |
|---|---|---|---|---|
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.34 |
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 5/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
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 SCHEMBL775971 | 1.00 | ALDH1A1 (0.42) | ALDH1A1FFAR3LCKFYNCA2 | |
| Acetic Acid SCHEMBL8395404 | 0.97 | ALDH1A1 (0.41) | ALDH1A1FFAR3LCKFYNCA2 | |
| Bicarbonate SCHEMBL9083427 | 0.91 | ALDH1A1 (0.44) | ALDH1A1CA2TSHRHSD17B10BLM | |
| Acetone SCHEMBL11555965 | 0.91 | CA2 (0.41) | ALDH1A1CA2TSHRHSD17B10SMN1; SMN2 | |
| Bicarbonate SCHEMBL27364872 | 0.91 | ALDH1A1 (0.44) | ALDH1A1CA2TSHRHSD17B10BLM | |
| Acetic Acid SCHEMBL7261899 | 0.91 | FFAR3 (0.50) | ALDH1A1FFAR3LCKFYNCA2 | |
| Acetic Acid SCHEMBL774951 | 0.91 | FFAR3 (0.50) | ALDH1A1FFAR3LCKFYNCA2 | |
| Acetic Acid SCHEMBL356157 | 0.90 | ALDH1A1 (0.38) | ALDH1A1FFAR3LCKFYNCA2 | |
| Acetic Acid SCHEMBL2515140 | 0.90 | MEN1 (0.52) | ALDH1A1FFAR3LCKFYNCA2 | |
| Acetic Acid SCHEMBL4453838 | 0.90 | ALDH1A1 (0.54) | ALDH1A1FFAR3LCKFYNCA2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2881442-B1 | POLYISOCYANATE COMPOSITION, SOLAR CELL MEMBER COVERING MATERIAL, SOLAR CELL MEMBER WITH COVERING LAYER, MICROCAPSULE, AND INK BINDER | MITSUI CHEMICALS INC (JP) | 2018-09-05 | — | — | EP | disclosed |
| US-9822212-B2 | Polyisocyanate composition, solar cell member covering material, solar cell member with cover layer, microcapsule, and binder for ink | MITSUI CHEMICALS, INC. (JP) | 2017-11-21 | — | — | US | disclosed |
| US-20150183922-A1 | POLYISOCYANATE COMPOSITION, SOLAR CELL MEMBER COVERING MATERIAL, SOLAR CELL MEMBER WITH COVER LAYER, MICROCAPSULE, AND BINDER FOR INK | MITSUI CHEMICALS, INC. (JP) | 2015-07-02 | — | — | US | disclosed |
| EP-2881442-A1 | POLYISOCYANATE COMPOSITION, SOLAR CELL MEMBER COVERING MATERIAL, SOLAR CELL MEMBER WITH COVERING LAYER, MICROCAPSULE, AND INK BINDER | Mitsui Chemicals, Inc. (JP) | 2015-06-10 | — | — | EP | disclosed |
| WO-2007068028-A1 | PHOTOLUMINESCENT TEXTILE MATERIALS | THE SPECIALTY GROUP (AU) | 2007-06-21 | — | — | WO | disclosed |
| EP-1476509-B1 | SELF-POLISHING ANTIFOULING PAINT | JOTUN AS (NO) | 2007-04-11 | — | — | EP | disclosed |
| US-7192682-B2 | Unsaturated monomers, polymers, chemically-amplified resist composition, and process of pattern formation | NEC CORPORATION (JP) | 2007-03-20 | — | — | US | disclosed |
| US-20040265732-A1 | Unsaturated monomers, polymers, chemically amplified resist composition, and process of pattern formation | NEC CORPORATION (JP) | 2004-12-30 | — | — | US | disclosed |
| EP-1476509-A2 | SELF-POLISHING ANTIFOULING PAINT | Jotun AS (NO) | 2004-11-17 | — | — | EP | disclosed |
| WO-2003070832-A2 | SELF-POLISHING ANTIFOULING PAINT | JOTUN AS (NO) | 2003-08-28 | — | — | WO | disclosed |
| US-4876302-A | POLYUREA-URETHANES | BAYER AKTIENGESELLSCHAFT (DE) | 1989-10-24 | — | — | US | disclosed |