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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.54 |
| ▸ | HSD17B3 | P37058 | 3/20 | 0.50 |
| ▸ | BCHE | P06276 | 3/20 | 0.45 |
| ▸ | ACHE | P22303 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.41 |
| ▸ | AMPD2 | Q01433 | 2/20 | 0.40 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.39 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5026715 | 0.93 | NOTUM (0.51) | NOTUMHSD17B3BCHEACHEKDM4E | |
| SCHEMBL1754049 | 0.81 | NOTUM (0.53) | NOTUMHSD17B3BCHEACHEKDM4E | |
| SCHEMBL11193164 | 0.80 | NOTUM (0.49) | NOTUMHSD17B3BCHEACHEKDM4E | |
| Hydrochloric Acid SCHEMBL27756629 | 0.80 | NOTUM (0.51) | NOTUMHSD17B3BCHEACHEKDM4E | |
| SCHEMBL6224256 | 0.77 | NOTUM (0.71) | NOTUMBCHEACHEKDM4ESHMT2 | |
| SCHEMBL11301413 | 0.76 | NOTUM (0.44) | NOTUMHSD17B3BCHEACHEKDM4E | |
| SCHEMBL4629227 | 0.76 | NOTUM (0.44) | NOTUMHSD17B3BCHEACHEKDM4E | |
| SCHEMBL4724326 | 0.75 | NOTUM (0.51) | NOTUMHSD17B3BCHEKDM4ESLC22A12 | |
| SCHEMBL11407839 | 0.75 | BCHE (0.54) | NOTUMHSD17B3BCHEKDM4ESLC22A12 | |
| SCHEMBL11354049 | 0.75 | NOTUM (0.47) | NOTUMHSD17B3BCHEACHEKDM4E |
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-1981883-A1 | NOVEL HETEROARYL SUBSTITUTED BENZOTHIAZOLES | AstraZeneca AB (SE) | 2008-10-22 | — | — | EP | disclosed |
| WO-2007086800-A1 | NOVEL HETEROARYL SUBSTITUTED BENZOTHIAZOLES | ASTRAZENECA AB (SE) | 2007-08-02 | — | — | WO | disclosed |