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 | |
|---|---|---|---|---|
| ▸ | TMPRSS4 | Q9NRS4 | 11/20 | 0.60 |
| ▸ | P2RX1 | P51575 | 9/20 | 0.60 |
| ▸ | P2RX7 | Q99572 | 7/20 | 0.60 |
| ▸ | P2RX4 | Q99571 | 6/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | IKBKB | O14920 | 1/20 | 0.60 |
| ▸ | CHUK | O15111 | 1/20 | 0.60 |
| ▸ | KDR | P35968 | 1/20 | 0.60 |
| ▸ | FLT3 | P36888 | 1/20 | 0.60 |
| ▸ | MYLK | Q15746 | 1/20 | 0.60 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.60 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6102085 | 0.95 | P2RX1 (0.65) | TMPRSS4P2RX1P2RX7P2RX4MEN1 | |
| SCHEMBL28359923 | 0.94 | P2RX1 (0.64) | TMPRSS4P2RX1P2RX7P2RX4MEN1 | |
| SCHEMBL16707255 | 0.92 | TMPRSS4 (0.59) | TMPRSS4P2RX1P2RX7P2RX4MEN1 | |
| SCHEMBL18073615 | 0.90 | TMPRSS4 (0.56) | TMPRSS4P2RX1P2RX7P2RX4MEN1 | |
| Ethyl Acetate SCHEMBL19586419 | 0.90 | TMPRSS4 (0.54) | TMPRSS4P2RX1P2RX7P2RX4MEN1 | |
| Dioxane SCHEMBL19586573 | 0.89 | P2RX1 (0.58) | TMPRSS4P2RX1P2RX7P2RX4MEN1 | |
| Monoethanolamine SCHEMBL28105530 | 0.88 | P2RX1 (0.57) | TMPRSS4P2RX1P2RX7P2RX4MEN1 | |
| Monoethanolamine SCHEMBL28356005 | 0.88 | P2RX1 (0.57) | TMPRSS4P2RX1P2RX7P2RX4MEN1 | |
| Diethanolamine SCHEMBL29511640 | 0.87 | P2RX1 (0.56) | TMPRSS4P2RX1P2RX7P2RX4MEN1 | |
| SCHEMBL16702757 | 0.87 | P2RX1 (0.67) | TMPRSS4P2RX1P2RX7P2RX4MEN1 |
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-115093443-A | Crystal | 埃罗米克斯公司 | 2022-09-23 | — | — | CN | disclosed |