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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | CRHBP | P24387 | 2/20 | 0.46 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL173192 | 0.88 | LOXL2 (0.61) | TSHRCYP2C19CYP1A2LOXL2ALDH1A1 | |
| Acetic Acid SCHEMBL27877969 | 0.84 | MAPK1 (0.71) | MAPK1TSHRTDP1ALDH1A1CES1 | |
| SCHEMBL27689131 | 0.82 | ALDH1A1 (0.60) | TSHRCYP2C19CYP1A2LOXL2ALDH1A1 | |
| Acetic Acid SCHEMBL27904062 | 0.82 | MAPK1 (0.68) | MAPK1TSHRTDP1ALDH1A1CES1 | |
| Acetic Acid SCHEMBL27687012 | 0.79 | MAPK1 (0.59) | MAPK1TSHRTDP1ALDH1A1CES1 | |
| Bicarbonate SCHEMBL31202990 | 0.77 | MAPT (0.55) | MAPK1TSHRCYP2C19CYP1A2LOXL2 | |
| SCHEMBL43494 | 0.77 | CYP2C19 (0.57) | MAPK1TSHRCYP2C19CYP1A2LOXL2 | |
| SCHEMBL10815212 | 0.77 | CYP2C19 (0.57) | MAPK1TSHRCYP2C19CYP1A2LOXL2 | |
| P-Nitrophenol SCHEMBL692178 | 0.76 | MAPK1 (0.61) | MAPK1TSHRTDP1ALDH1A1CES1 | |
| P-Nitrophenol SCHEMBL28428650 | 0.76 | CA2 (0.61) | MAPK1TSHRCYP2C19CYP1A2MAOB |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7098174-B2 | Slime remover and slime preventing/removing agent | NIPPON SODA CO., LTD. (JP) | 2006-08-29 | — | — | US | disclosed |
| EP-1676478-A2 | Slime remover and slime preventing/removing agent | NIPPON SODA CO., LTD. (JP) | 2006-07-05 | — | — | EP | disclosed |
| US-6927199-B2 | Slime remover and slime preventing/removing agent containing a clathrate compound | NIPPON SODA CO., LTD (JP) | 2005-08-09 | — | — | US | disclosed |
| US-20050103709-A1 | comprises antimicrobial agent of non-bleaching powder (non-clathrate compound), and multi-molecular host compound (tetrakisphenols) which is pressure molded with calcium sulfate hemi-hydrate; for kitchen sinks and bathroom drains | NIPPON SODA CO., LTD. (JP) | 2005-05-19 | — | — | US | disclosed |
| US-6528467-B1 | Clathrates such as 5-chloro-2-methyl-4-isothiazolin-3-one and pressure molded 1,1-bis(4-hydroxyphenyl)cyclohexane host compounds, used for unclogging drains | NIPPON SODA CO., LTD. (JP) | 2003-03-04 | — | — | US | disclosed |
| US-20030032569-A1 | Slime remover and slime preventing/removing agent | NIPPON SODA CO., LTD. | 2003-02-13 | — | — | US | disclosed |
| EP-1113112-A1 | SLIME REMOVER AND SLIME PREVENTING/REMOVING AGENT | NIPPON SODA CO., LTD. (JP) | 2001-07-04 | — | — | EP | disclosed |