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 | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 7/20 | 0.48 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
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 SCHEMBL938460 | 1.00 | EPHX1 (0.48) | EPHX1FFAR3LCKFYNCES2 | |
| Acetic Acid SCHEMBL4087167 | 1.00 | EPHX1 (0.48) | EPHX1FFAR3LCKFYNCES2 | |
| Methylcyclopentane SCHEMBL4087874 | 0.97 | EPHX1 (0.44) | EPHX1FFAR3LCKFYNCES2 | |
| Methylcyclopentane SCHEMBL4362497 | 0.97 | EPHX1 (0.44) | EPHX1FFAR3LCKFYNCES2 | |
| Acetone SCHEMBL9529315 | 0.91 | EPHX1 (0.50) | EPHX1CES2CES1KMT2ARECQL | |
| Bicarbonate SCHEMBL17847302 | 0.91 | EPHX1 (0.50) | EPHX1CES2CES1CYP1A2KMT2A | |
| Bicarbonate SCHEMBL4695324 | 0.91 | EPHX1 (0.50) | EPHX1CES2CES1CYP1A2KMT2A | |
| Bicarbonate SCHEMBL8913592 | 0.91 | EPHX1 (0.50) | EPHX1CES2CES1CYP1A2KMT2A | |
| Acetic Acid SCHEMBL28484765 | 0.88 | EPHX1 (0.41) | EPHX1FFAR3LCKFYNCES2 | |
| Acetic Acid SCHEMBL28243885 | 0.88 | EPHX1 (0.41) | EPHX1FFAR3LCKFYNCES2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2048166-B1 | SOLID TITANIUM CATALYST INGREDIENT, CATALYST FOR OLEFIN POLYMERIZATION, AND METHOD OF OLEFIN POLYMERIZATION | MITSUI CHEMICALS INC (JP) | 2014-02-26 | — | — | EP | disclosed |
| US-20090203855-A1 | Solid titanium catalyst ingredient, catalyst for olefin polymerization, and method of olefin polymerization | MITSUI CHEMICALS, INC. | 2009-08-13 | — | — | US | disclosed |
| EP-2048166-A1 | SOLID TITANIUM CATALYST INGREDIENT, CATALYST FOR OLEFIN POLYMERIZATION, AND METHOD OF OLEFIN POLYMERIZATION | Mitsui Chemicals, Inc. (JP) | 2009-04-15 | — | — | EP | disclosed |