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 | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 11/20 | 0.60 |
| ▸ | NR3C2 | P08235 | 6/20 | 0.60 |
| ▸ | NR3C1 | P04150 | 4/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.60 |
| ▸ | PGR | P06401 | 4/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.60 |
| ▸ | SERPINA6 | P08185 | 3/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 2/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.60 |
| ▸ | SHBG | P04278 | 1/20 | 0.60 |
| ▸ | AR | P10275 | 2/20 | 0.55 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.55 |
| ▸ | TNF | P01375 | 1/20 | 0.55 |
| ▸ | IL6 | P05231 | 1/20 | 0.55 |
| ▸ | GLUL | P15104 | 1/20 | 0.55 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.55 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL141828 | 0.98 | HIF1A (0.62) | HIF1ANR3C2NR3C1HSD17B10PGR | |
| Water SCHEMBL27961624 | 0.97 | HIF1A (0.61) | HIF1ANR3C2NR3C1HSD17B10PGR | |
| Butyric Acid SCHEMBL28140488 | 0.96 | HIF1A (0.59) | HIF1ANR3C2NR3C1HSD17B10PGR | |
| Propionic Acid SCHEMBL27929927 | 0.96 | HIF1A (0.59) | HIF1ANR3C2NR3C1HSD17B10PGR | |
| Valeric Acid SCHEMBL28435896 | 0.95 | HIF1A (0.57) | HIF1ANR3C2NR3C1HSD17B10PGR | |
| SCHEMBL141360 | 0.94 | HIF1A (0.61) | HIF1ANR3C2NR3C1HSD17B10PGR | |
| SCHEMBL6001323 | 0.94 | HIF1A (0.65) | HIF1ANR3C2NR3C1HSD17B10PGR | |
| SCHEMBL249836 | 0.93 | HIF1A (0.64) | HIF1ANR3C2NR3C1HSD17B10PGR | |
| SCHEMBL14931695 | 0.93 | HIF1A (0.64) | HIF1ANR3C2NR3C1HSD17B10PGR | |
| Hydrocortisone SCHEMBL21313285 | 0.93 | HIF1A (0.72) | HIF1ANR3C2NR3C1HSD17B10PGR |
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-115398231-A | Methods related to toxicity and response associated with cell therapy for treatment of B cell malignancies | 朱诺治疗学股份有限公司 | 2022-11-25 | — | — | CN | disclosed |
| CN-101972264-A | Method for preparing miconazole nitrate-and hydrocortisone-containing medicinal cream | NANJING ZEHENG PHARMACEUTICAL TECHNOLOGY DEV CO LTD | 2011-02-16 | — | — | CN | disclosed |