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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.52 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.48 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.45 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1739442 | 0.96 | TDP1 (0.63) | TDP1ALDH1A1KMT2AKEAP1FFAR1 | |
| SCHEMBL28829454 | 0.95 | TDP1 (0.61) | TDP1ALDH1A1KMT2AKEAP1FFAR1 | |
| SCHEMBL1739439 | 0.89 | TDP1 (0.73) | TDP1ALDH1A1KMT2AKEAP1FFAR1 | |
| SCHEMBL23069543 | 0.87 | TDP1 (0.61) | TDP1ALDH1A1KMT2AKEAP1FFAR1 | |
| SCHEMBL544942 | 0.86 | HDAC1 (0.58) | TDP1ALDH1A1KMT2ANPC1RAB9A | |
| SCHEMBL29189747 | 0.86 | ALDH1A1 (0.69) | TDP1ALDH1A1KMT2AKEAP1FFAR1 | |
| SCHEMBL466545 | 0.85 | TDP1 (0.63) | TDP1ALDH1A1KMT2AKEAP1FFAR1 | |
| SCHEMBL27431285 | 0.84 | MAPT (0.58) | TDP1KMT2AHDAC2HDAC8HDAC6 | |
| SCHEMBL6279310 | 0.84 | TDP1 (0.61) | TDP1ALDH1A1KMT2AKEAP1FFAR1 | |
| SCHEMBL11634240 | 0.83 | TDP1 (0.66) | TDP1ALDH1A1KMT2AKEAP1FFAR1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113490674-B | Compound, additive for electrolyte, electrochemical device, lithium ion secondary battery, and module | 大金工业株式会社 | 2024-06-07 | — | — | CN | disclosed |
| CN-112088456-B | Electrolyte, electrochemical device, lithium ion secondary battery and assembly | 大金工业株式会社 | 2024-04-19 | — | — | CN | disclosed |
| CN-112119528-B | Electrolyte, electrochemical device, lithium ion secondary battery and assembly | 大金工业株式会社 | 2024-04-05 | — | — | CN | disclosed |
| CN-111108642-B | Nonaqueous electrolyte, nonaqueous electrolyte secondary battery, and energy device | 三菱化学株式会社 | 2024-04-02 | — | — | CN | disclosed |
| CN-117790904-A | Nonaqueous electrolyte, nonaqueous electrolyte secondary battery, and energy device | 三菱化学株式会社 | 2024-03-29 | — | — | CN | disclosed |
| CN-112136242-B | Electrolyte, electrochemical device, lithium ion secondary battery and assembly | 大金工业株式会社 | 2024-03-08 | — | — | CN | disclosed |
| CN-111628217-B | Electrolyte for lithium ion secondary battery, and assembly | 丰田自动车株式会社 | 2023-12-15 | — | — | CN | disclosed |
| CN-117039164-A | Electrolyte, electrochemical device, lithium ion secondary battery and assembly | 大金工业株式会社 | 2023-11-10 | — | — | CN | disclosed |
| CN-111373591-B | Electrolyte, electrochemical device, lithium ion secondary battery and assembly | 大金工业株式会社 | 2023-11-03 | — | — | CN | disclosed |
| CN-111712961-B | Electrolyte, electrochemical device, lithium ion secondary battery and assembly | 大金工业株式会社 | 2023-09-22 | — | — | CN | disclosed |
| CN-111344891-B | Nonaqueous electrolyte and energy device using same | 三菱化学株式会社 | 2023-05-02 | — | — | CN | disclosed |