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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALPI | P09923 | 1/20 | 0.60 |
| ▸ | PKM | P14618 | 1/20 | 0.60 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.60 |
| ▸ | XIAP | P98170 | 1/20 | 0.60 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.60 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.59 |
| ▸ | MMP2 | P08253 | 3/20 | 0.56 |
| ▸ | ANPEP | P15144 | 1/20 | 0.52 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.50 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.50 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.50 |
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 SCHEMBL27733279 | 1.00 | ALPI (0.60) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Carbamic Acid SCHEMBL28308217 | 0.90 | EPHX1 (0.61) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL3441656 | 0.88 | EPHX1 (0.76) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL243771 | 0.88 | EPHX1 (0.76) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL137074 | 0.88 | EPHX1 (0.76) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Phenylalanine Amide SCHEMBL10902583 | 0.87 | ALPI (0.59) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Phenylalanine Amide SCHEMBL10902576 | 0.87 | ALPI (0.59) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Hydrochloric Acid SCHEMBL18547947 | 0.86 | EPHX1 (0.73) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Hydrochloric Acid SCHEMBL5567986 | 0.86 | EPHX1 (0.73) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL9583547 | 0.86 | EPHX1 (0.73) | ALPIPKMPTGS1XIAPSLC7A5 |
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-0820763-A2 | Use of N,N'-dibenzyl-ethylene diamine acid derivatives as depigmentation agents | L'OREAL (FR) | 1998-01-28 | — | — | EP | disclosed |
| US-4770979-A | Developer composition | KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) | 1988-09-13 | — | — | US | disclosed |