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 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TNFSF11 | O14788 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | PREP | P48147 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CFD | P00746 | 1/20 | 0.39 |
| ▸ | CELA1 | Q9UNI1 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7566198 | 0.96 | POLB (0.54) | POLBHTTMAPK1TNFSF11KDM4E | |
| Acetic Acid SCHEMBL7880506 | 0.88 | POLB (0.50) | POLBHTTMAPK1KDM4EALDH1A1 | |
| SCHEMBL2114307 | 0.84 | POLB (0.53) | POLBHTTMAPK1TNFSF11KDM4E | |
| SCHEMBL2776573 | 0.81 | POLB (0.57) | POLBHTTMAPK1TNFSF11KDM4E | |
| SCHEMBL7039810 | 0.81 | TNFSF11 (0.51) | POLBTNFSF11TSHRMAPTCYP3A4 | |
| SCHEMBL25404611 | 0.78 | POLB (0.58) | POLBHTTTNFSF11TSHRMAPT | |
| SCHEMBL3293017 | 0.77 | POLB (0.51) | POLBHTTMAPK1TNFSF11KDM4E | |
| SCHEMBL2912166 | 0.76 | POLB (0.56) | POLBHTTTNFSF11KDM4EALDH1A1 | |
| SCHEMBL15642113 | 0.76 | POLB (0.65) | POLBHTTMAPK1TNFSF11KDM4E | |
| Acetic Acid SCHEMBL7565584 | 0.75 | KDM4E (0.49) | POLBHTTMAPK1KDM4EALDH1A1 |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5340888-A | Curable mixture of phenolic novolak resin, esterified phenolic compound and base; for foundry molds, cores | BORDEN INC. (US) | 1994-08-23 | — | — | US | claimed |
| EP-0377308-B1 | Phenolic resins | BORDEN UK LTD (GB) | 1993-11-03 | — | — | EP | claimed |
| US-5051454-A | An esterified phenolic compound, an unesterified phenolic resole and a base and curing | BORDEN, INC. (US) | 1991-09-24 | — | — | US | claimed |
| EP-0377308-A1 | Phenolic resins | BORDEN (UK) LIMITED (GB) | 1990-07-11 | — | — | EP | claimed |
| WO-1990006904-A2 | PHENOLIC RESINS | BORDEN (UK) LIMITED (GB) | 1990-06-28 | — | — | WO | claimed |
| EP-1235656-A1 | IMPROVEMENTS IN ESTER CURED BINDERS | BORDEN CHEMICAL, INC. (US) | 2002-09-04 | — | — | EP | disclosed |
| US-6232368-B1 | USING ACIDIC METHYLENE COMPOUNDS IN BINDER COMPOSITIONS OF STRONGLY ALKALINE PHENOLIC RESOLES RESULTS IN ESTER CURABLE BINDER WHICH MAY BE USED TO MAKE FOUNDRY CORES AND MOLDS OF GREATER TENSILE STRENGTH | BORDEN CHEMICAL, INC. | 2001-05-15 | — | — | US | disclosed |
| WO-2001026842-A1 | IMPROVEMENTS IN ESTER CURED BINDERS | BORDEN CHEMICAL, INC. (US) | 2001-04-19 | — | — | WO | disclosed |
| EP-0530943-B1 | Refractory compositions | BORDEN INC (US) | 1995-12-27 | — | — | EP | disclosed |
| EP-0469785-B1 | Retarders for curing/hardening resole resins | BORDEN INC (US) | 1995-01-11 | — | — | EP | disclosed |
| EP-0469811-B1 | Accelerators for curing phenolic resole resins | BORDEN INC (US) | 1994-11-30 | — | — | EP | disclosed |
| US-5294649-A | Hardening agent of magnesioum hydroxide or lightburned magnesium oxide and promoter of a nitrogen-containing heterocyclic compound | BORDEN, INC. (US) | 1994-03-15 | — | — | US | disclosed |
| EP-0530943-A1 | Refractory compositions | Borden, Inc. (US) | 1993-03-10 | — | — | EP | disclosed |
| US-5182347-A | Hardening phenolic resin binder | BORDEN, INC. (US) | 1993-01-26 | — | — | US | disclosed |
| US-5182346-A | Magnesium oxide or hydroxide, chelating agent | BORDEN, INC. (US) | 1993-01-26 | — | — | US | disclosed |
| US-5180795-A | Anilines, Salicylamide, Sulfanilic Acid, Anilinesulfonic Acid | BORDEN, INC. (US) | 1993-01-19 | — | — | US | disclosed |
| US-5179177-A | Binder for a magnesia aggregate | BORDEN, INC. (US) | 1993-01-12 | — | — | US | disclosed |
| US-5145913-A | Decrease solubility of magnesium oxide or magnesium hydroxide hardener | BORDEN, INC. (US) | 1992-09-08 | — | — | US | disclosed |
| EP-0469785-A2 | Retarders for curing/hardening resole resins | Borden, Inc. (US) | 1992-02-05 | — | — | EP | disclosed |
| EP-0469811-A2 | Accelerators for curing phenolic resole resins | Borden, Inc. (US) | 1992-02-05 | — | — | EP | disclosed |