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 | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 6/20 | 0.63 |
| ▸ | DRD2 | P14416 | 2/20 | 0.53 |
| ▸ | DRD3 | P35462 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
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 SCHEMBL7586109 | 1.00 | ACHE (0.63) | ACHEDRD2DRD3HSD17B10ALOX15 | |
| SCHEMBL5145659 | 0.89 | ACHE (0.58) | ACHEDRD2DRD3HSD17B10ALOX15 | |
| SCHEMBL5679306 | 0.85 | ACHE (0.63) | ACHEDRD2DRD3HSD17B10ALOX15 | |
| SCHEMBL5722251 | 0.85 | ACHE (0.65) | ACHEDRD2DRD3CA1CA2 | |
| SCHEMBL5722250 | 0.85 | ACHE (0.65) | ACHEDRD2DRD3CA1CA2 | |
| SCHEMBL5722321 | 0.84 | HSD17B10 (0.62) | ACHEDRD2DRD3HSD17B10ALOX15 | |
| SCHEMBL5722323 | 0.84 | HSD17B10 (0.62) | ACHEDRD2DRD3HSD17B10ALOX15 | |
| SCHEMBL13596183 | 0.83 | ACHE (0.49) | ACHEHSD17B10ALOX15TSHRSMN1; SMN2 | |
| SCHEMBL5681876 | 0.83 | ACHE (0.60) | ACHEDRD2DRD3HSD17B10ALOX15 | |
| Hydrochloric Acid SCHEMBL7545794 | 0.83 | HSD17B10 (0.61) | ACHEDRD2DRD3HSD17B10ALOX15 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0882704-B1 | 3,4-DISUBSTITUTED PHENYLETHANOLAMINOTETRALINCARBOXAMIDE DERIVATIVES | KISSEI PHARMACEUTICAL (JP) | 2002-10-09 | — | — | EP | disclosed |
| US-6133266-A | 3,4-disubstituted phenylethanolaminotetralincarboxamide derivatives | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2000-10-17 | — | — | US | disclosed |
| EP-0882704-A1 | 3,4-DISUBSTITUTED PHENYLETHANOLAMINOTETRALINCARBOXAMIDE DERIVATIVES | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 1998-12-09 | — | — | EP | disclosed |