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 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | PREP | P48147 | 2/20 | 0.42 |
| ▸ | CFD | P00746 | 2/20 | 0.42 |
| ▸ | CELA1 | Q9UNI1 | 1/20 | 0.42 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8022610 | 0.96 | HTT (0.49) | KDM4EALDH1A1HSD17B10HPGDPTPN1 | |
| SCHEMBL8949855 | 0.81 | PTPN1 (0.53) | KDM4EALDH1A1HSD17B10HPGDPTPN1 | |
| SCHEMBL7565582 | 0.81 | PTPN1 (0.51) | KDM4EALDH1A1HSD17B10HPGDPTPN1 | |
| SCHEMBL10394800 | 0.79 | PIM1 (0.51) | KDM4EALDH1A1HSD17B10HPGDHTT | |
| SCHEMBL7947809 | 0.79 | POLB (0.51) | KDM4EALDH1A1HSD17B10HPGDPTPN1 | |
| SCHEMBL5587337 | 0.79 | TDP1 (0.46) | KDM4EALDH1A1HSD17B10HPGDPTPN1 | |
| SCHEMBL16265058 | 0.78 | KDM4E (0.59) | KDM4EALDH1A1HSD17B10HPGDPTPN1 | |
| Acetic Acid SCHEMBL7880506 | 0.77 | POLB (0.50) | KDM4EALDH1A1HSD17B10HPGDPTPN1 | |
| SCHEMBL9328943 | 0.76 | PTPN1 (0.62) | KDM4EALDH1A1HSD17B10HPGDPTPN1 | |
| SCHEMBL7390252 | 0.76 | ACHE (0.47) | KDM4EALDH1A1HSD17B10HPGDPTPN1 |
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 27 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-1235656-A1 | IMPROVEMENTS IN ESTER CURED BINDERS | BORDEN CHEMICAL, INC. (US) | 2002-09-04 | — | — | EP | 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 |
| US-5281644-A | Phenolic resin hardening with nitroalkane | BORDEN, INC. (US) | 1994-01-25 | — | — | US | disclosed |
| US-5262495-A | Magnesium oxide or magnesium hydroxide hardeners to slow gelation | BORDEN, INC. (US) | 1993-11-16 | — | — | 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 |
| US-5096983-A | Magnesium oxide and and ester as hardeners, retarder to inhibit hardening | BORDEN, INC. (US) | 1992-03-17 | — | — | US | disclosed |
| EP-0469811-A2 | Accelerators for curing phenolic resole resins | Borden, Inc. (US) | 1992-02-05 | — | — | EP | disclosed |
| EP-0469785-A2 | Retarders for curing/hardening resole resins | Borden, Inc. (US) | 1992-02-05 | — | — | EP | disclosed |