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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | L3MBTL3 | Q96JM7 | 6/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 6/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.32 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.32 |
| ▸ | L3MBTL4 | Q8NA19 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17292640 | 0.97 | ALDH1A1 (0.49) | ALDH1A1L3MBTL3L3MBTL1HRH3SMN1; SMN2 | |
| SCHEMBL21590841 | 0.82 | HRH3 (0.35) | L3MBTL3L3MBTL1HRH3MBTD1TP53BP1 | |
| SCHEMBL17261071 | 0.80 | ALDH1A1 (0.40) | ALDH1A1L3MBTL3L3MBTL1HRH3CYP1A2 | |
| SCHEMBL25820246 | 0.77 | ALDH1A1 (0.42) | ALDH1A1L3MBTL3L3MBTL1SMN1; SMN2CHRM2 | |
| SCHEMBL1464487 | 0.75 | L3MBTL3 (0.55) | ALDH1A1L3MBTL3L3MBTL1HRH3CYP1A2 | |
| SCHEMBL4471423 | 0.73 | L3MBTL3 (0.57) | ALDH1A1L3MBTL3L3MBTL1HRH3HTT | |
| SCHEMBL21592442 | 0.73 | SMN1; SMN2 (0.45) | HRH3SMN1; SMN2KDM4E | |
| SCHEMBL24996228 | 0.73 | ALDH1A1 (0.42) | ALDH1A1L3MBTL3L3MBTL1HRH3SMN1; SMN2 | |
| SCHEMBL23173212 | 0.72 | ALDH1A1 (0.41) | ALDH1A1L3MBTL3L3MBTL1KDM4E | |
| SCHEMBL2856149 | 0.72 | L3MBTL3 (0.51) | ALDH1A1L3MBTL3L3MBTL1HRH3CYP1A2 |
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-3143023-A1 | OXINDOLE COMPOUNDS CARRYING A CO-BOUND SPIRO SUBSTITUENT AND USE THEREOF FOR TREATING VASOPRESSIN-RELATED DISEASES | AbbVie Deutschland GmbH & Co. KG (DE) | 2017-03-22 | — | — | EP | disclosed |
| WO-2015173392-A1 | OXINDOLE COMPOUNDS CARRYING A CO-BOUND SPIRO SUBSTITUENT AND USE THEREOF FOR TREATING VASOPRESSIN-RELATED DISEASES | AbbVie Deutschland GmbH & Co. KG (DE) | 2015-11-19 | — | — | WO | disclosed |