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 | |
|---|---|---|---|---|
| ▸ | TERT | O14746 | 3/20 | 0.58 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.58 |
| ▸ | PPARG | P37231 | 3/20 | 0.58 |
| ▸ | PPARD | Q03181 | 3/20 | 0.58 |
| ▸ | PPARA | Q07869 | 3/20 | 0.58 |
| ▸ | TOP1 | P11387 | 3/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | BLM | P54132 | 2/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | FABP4 | P15090 | 2/20 | 0.58 |
| ▸ | GMNN | O75496 | 1/20 | 0.58 |
| ▸ | USP2 | O75604 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | APEX1 | P27695 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | RECQL | P46063 | 1/20 | 0.58 |
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 SCHEMBL5733584 | 1.00 | TERT (0.58) | TERTPTPN1PPARGPPARDPPARA | |
| Acetic Acid SCHEMBL27450763 | 0.89 | FABP3 (0.61) | MAPTBLMHSD17B10GMNNUSP2 | |
| Glycolic Acid SCHEMBL30163285 | 0.89 | TERT (0.59) | TERTPTPN1PPARGPPARDPPARA | |
| Glycolic Acid SCHEMBL7799277 | 0.89 | TERT (0.59) | TERTPTPN1PPARGPPARDPPARA | |
| Urea SCHEMBL11669998 | 0.89 | FAAH (0.63) | TERTMAPTBLMHSD17B10FABP4 | |
| Urea SCHEMBL11670008 | 0.89 | FAAH (0.63) | TERTMAPTBLMHSD17B10FABP4 | |
| SCHEMBL24398977 | 0.88 | LPAR1 (0.57) | MAPTFAAHKMT2A | |
| SCHEMBL20774497 | 0.88 | LPAR1 (0.57) | MAPTFAAHKMT2A | |
| SCHEMBL21924992 | 0.88 | LPAR1 (0.57) | MAPTFAAHKMT2A | |
| SCHEMBL44028 | 0.88 | LPAR1 (0.57) | MAPTFAAHKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1693437-A1 | CIP CLEANING AGENT COMPOSITION AND METHOD OF CLEANING THEREWITH | Johnson Diversey, Inc. (US) | 2006-08-23 | — | — | EP | disclosed |
| US-5234545-A | Fiberizing in aqueous alkaline deinking solution containing alkali metal, alkaline earth metal, or ammonium salt of a hydroxysulfonate, removing ink particles | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1993-08-10 | — | — | US | disclosed |