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 | |
|---|---|---|---|---|
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | ABAT | P80404 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.46 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.46 |
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 SCHEMBL7331428 | 1.00 | PKM (0.53) | PKMNAPRTHSD17B10ABATALDH1A1 | |
| Acetic Acid SCHEMBL26699811 | 0.98 | PKM (0.51) | PKMNAPRTHSD17B10ABATALDH1A1 | |
| Hydrochloric Acid SCHEMBL2006870 | 0.93 | ABAT (0.53) | PKMABATALDH1A1MAPTRAB9A | |
| SCHEMBL7785939 | 0.93 | ABAT (0.53) | PKMABATALDH1A1MAPTRAB9A | |
| SCHEMBL1330698 | 0.93 | ABAT (0.53) | PKMABATALDH1A1MAPTRAB9A | |
| SCHEMBL41828 | 0.93 | ABAT (0.53) | PKMABATALDH1A1MAPTRAB9A | |
| Hydrochloric Acid SCHEMBL3069393 | 0.93 | ABAT (0.53) | PKMABATALDH1A1MAPTRAB9A | |
| Benzene SCHEMBL27714747 | 0.93 | ABAT (0.53) | PKMABATALDH1A1MAPTRAB9A | |
| Methylamine SCHEMBL27800341 | 0.91 | PKM (0.49) | PKMNAPRTHSD17B10ABATALDH1A1 | |
| SCHEMBL27534556 | 0.91 | PKM (0.49) | PKMNAPRTHSD17B10ABATALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111406216-A | Compounds, reagents and uses thereof | 麦特博隆股份有限公司 | 2020-07-10 | — | — | CN | disclosed |