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 | |
|---|---|---|---|---|
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.40 |
| ▸ | CCR1 | P32246 | 1/20 | 0.39 |
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
| ▸ | CCR8 | P51685 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL130934 | 0.88 | TRPV4 (0.58) | TRPV4NR1I2CYP2C9MAPTRAB9A | |
| SCHEMBL29497498 | 0.88 | TRPV4 (0.58) | TRPV4NR1I2CYP2C9MAPTRAB9A | |
| Ammonia Solution, Strong SCHEMBL28458759 | 0.86 | TRPV4 (0.56) | TRPV4NR1I2CYP2C9MAPTRAB9A | |
| SCHEMBL30628280 | 0.81 | RAB9A (0.42) | TRPV4NR1I2CYP2C9MAPTRAB9A | |
| SCHEMBL17420645 | 0.81 | RAB9A (0.42) | TRPV4NR1I2CYP2C9MAPTRAB9A | |
| SCHEMBL30087610 | 0.78 | RAB9A (0.42) | NR1I2CYP2C9MAPTRAB9APTGS2 | |
| SCHEMBL15291351 | 0.76 | KDM4E (0.64) | MAPTRAB9AKDM4EL3MBTL1MEN1 | |
| SCHEMBL29456932 | 0.76 | TRPV4 (0.48) | TRPV4MAPTHDAC4KDM4EL3MBTL1 | |
| SCHEMBL934659 | 0.76 | TRPV4 (0.48) | TRPV4MAPTHDAC4KDM4EL3MBTL1 | |
| SCHEMBL31292454 | 0.76 | RAB9A (0.43) | CYP2C9MAPTRAB9AKDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105636646-B | Azaindole compounds, its synthesis and its application method | 全球结核病药物研发联盟 | 2017-12-19 | — | — | CN | disclosed |
| CN-105636646-A | Azaindole compounds, synthesis thereof, and methods of using the same | GLOBAL ALLIANCE FOR TB DRUG DEV | 2016-06-01 | — | — | CN | disclosed |