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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A5 | Q9Y345 | 2/20 | 0.75 |
| ▸ | CASP2 | P42575 | 1/20 | 0.62 |
| ▸ | FAAH | O00519 | 4/20 | 0.60 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.59 |
| ▸ | NAAA | Q02083 | 1/20 | 0.59 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.57 |
| ▸ | PAOX | Q6QHF9 | 2/20 | 0.55 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.53 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.53 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.51 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL16295630 | 0.95 | SLC6A5 (0.77) | SLC6A5CASP2FAAHEPHX2NAAA | |
| Acetic Acid SCHEMBL2243860 | 0.95 | SLC6A5 (0.68) | SLC6A5CASP2FAAHEPHX2NAAA | |
| SCHEMBL18251841 | 0.95 | SLC6A5 (0.82) | SLC6A5CASP2FAAHEPHX2NAAA | |
| SCHEMBL16369362 | 0.95 | SLC6A5 (0.82) | SLC6A5CASP2FAAHEPHX2NAAA | |
| SCHEMBL13254152 | 0.95 | SLC6A5 (0.82) | SLC6A5CASP2FAAHEPHX2NAAA | |
| SCHEMBL24591641 | 0.95 | SLC6A5 (0.82) | SLC6A5CASP2FAAHEPHX2NAAA | |
| SCHEMBL24682133 | 0.95 | SLC6A5 (0.82) | SLC6A5CASP2FAAHEPHX2NAAA | |
| SCHEMBL23796509 | 0.95 | SLC6A5 (0.82) | SLC6A5CASP2FAAHEPHX2NAAA | |
| SCHEMBL20536079 | 0.95 | SLC6A5 (0.82) | SLC6A5CASP2FAAHEPHX2NAAA | |
| SCHEMBL23729790 | 0.95 | SLC6A5 (0.82) | SLC6A5CASP2FAAHEPHX2NAAA |
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-1285647-B1 | Hair cosmetic comprising guanidine derivative and N-alpha-acylarginine | AJINOMOTO KK (JP) | 2010-08-04 | — | — | EP | disclosed |
| EP-1285647-A2 | Hair cosmetic comprising guanidine derivative and N-alpha-acylarginine | Ajinomoto Co., Inc. (JP) | 2003-02-26 | — | — | EP | disclosed |