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 | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 4/20 | 0.75 |
| ▸ | NPC1 | O15118 | 4/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | APEX1 | P27695 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| Propionic Acid SCHEMBL8946376 | 0.88 | AHR (0.68) | AHRNPC1RAB9ACYP2C19KDM4E | |
| SCHEMBL228554 | 0.87 | AHR (1.00) | AHRNPC1RAB9ACYP2C19USP2 | |
| SCHEMBL18805065 | 0.87 | AHR (1.00) | AHRNPC1RAB9ACYP2C19USP2 | |
| Acetic Acid SCHEMBL9119235 | 0.86 | AHR (0.75) | AHRNPC1RAB9AKDM4EALDH1A1 | |
| Methane SCHEMBL27929619 | 0.85 | AHR (0.95) | AHRNPC1RAB9ACYP2C19USP2 | |
| Formic Acid SCHEMBL28143741 | 0.84 | AHR (0.78) | AHRNPC1RAB9ACYP2C19KDM4E | |
| Cyanide SCHEMBL31107529 | 0.81 | AHR (0.88) | AHRNPC1RAB9ACYP2C19USP2 | |
| Ethylamine SCHEMBL28652638 | 0.80 | AHR (0.78) | AHRNPC1RAB9ACYP2C19USP2 | |
| Biphenyl SCHEMBL27962699 | 0.80 | AHR (0.78) | AHRNPC1RAB9AUSP2GAA | |
| Acetic Acid SCHEMBL122895 | 0.80 | USP2 (0.78) | AHRNPC1RAB9ACYP2C19KDM4E |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103621505-A | Application of halogenated indole-3-acetic acid as herbicide | UNIV SOUTHEAST | 2014-03-12 | — | — | CN | disclosed |
| CN-102358741-A | Azepinoindole derivatives as pharmaceutical agents | EXELIXIS INC | 2012-02-22 | — | — | CN | disclosed |
| CN-1914207-A | Aza * -indoline derivatives as medicaments | EXELIXIS INC (US) | 2007-02-14 | — | — | CN | disclosed |
| US-20050203166-A1 | Indole-3-acetic acid derivatives | CANCER RESEARCH TECHNOLOGY LIMITED | 2005-09-15 | — | — | US | disclosed |
| US-6890948-B1 | Use of indole-3-acetic acid derivatives in medicine | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2005-05-10 | — | — | US | disclosed |
| EP-1296676-B1 | USE OF INDOLE-3-ACETIC ACID DERIVATIVES IN MEDICINE | CANCER REC TECH LTD (GB) | 2004-01-28 | — | — | EP | disclosed |
| EP-1296676-A1 | USE OF INDOLE-3-ACETIC ACID DERIVATIVES IN MEDICINE | Cancer Research Technology Limited (GB) | 2003-04-02 | — | — | EP | disclosed |
| WO-2002002110-A1 | USE OF INDOLE-3-ACETIC ACID DERIVATIVES IN MEDICINE | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2002-01-10 | — | — | WO | disclosed |
| WO-1999063092-A9 | ROOT-SPECIFIC PROTEIN INVOLVED IN AUXIN TRANSPORT | WHITEHEAD BIOMEDICAL INST (US) | 2000-04-06 | — | — | WO | disclosed |
| WO-1999063092-A1 | ROOT-SPECIFIC PROTEIN INVOLVED IN AUXIN TRANSPORT | WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) | 1999-12-09 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050203166-A1 | Indole-3-acetic acid derivatives | ADCY3, GPR3, HCAR3 | AHR 475/4885NPC1 3237/4885RAB9A 2661/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.