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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.56 |
| ▸ | CA6 | P23280 | 5/20 | 0.56 |
| ▸ | CA7 | P43166 | 5/20 | 0.56 |
| ▸ | CA9 | Q16790 | 5/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.56 |
| ▸ | CA5B | Q9Y2D0 | 5/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | RECQL | P46063 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | CA2 | P00918 | 4/20 | 0.53 |
| ▸ | CA4 | P22748 | 4/20 | 0.53 |
| ▸ | CA5A | P35218 | 4/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.53 |
| ▸ | CA3 | P07451 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL1565417 | 0.97 | CA12 (0.59) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL18288 | 0.97 | CA12 (0.59) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL27525013 | 0.97 | CA12 (0.59) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL863599 | 0.97 | CA12 (0.59) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL9716193 | 0.97 | CA12 (0.59) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL9100273 | 0.97 | CA12 (0.59) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL3657736 | 0.97 | CA12 (0.59) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL7538612 | 0.94 | CA12 (0.56) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL6139126 | 0.94 | CA12 (0.56) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL20531236 | 0.94 | CA12 (0.61) | CA12CA6CA7CA9CA14 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103550757-A | Method for treating lung diseases by using interferon | UNIV NEW YORK | 2014-02-05 | — | — | CN | disclosed |
| CN-102802612-A | Solid compositions comprising 5-aminolevulinic acid | PHOTOCURE ASA | 2012-11-28 | — | — | CN | disclosed |
| CN-101378774-A | Method of treating lung disease with interferon | UNIV NEW YORK (US) | 2009-03-04 | — | — | CN | disclosed |
| CN-1229371-C | Benzopyran guanidine derivatives, process for preparing the same, and pharmaceutical composition thereof | KOREA RES INST CHEM TECH (KR) | 2005-11-30 | — | — | CN | disclosed |
| EP-1228058-B1 | BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DONGBU HANNONG CHEMICAL CO LTD (KR) | 2003-12-10 | — | — | EP | disclosed |
| EP-1228058-A4 | BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DONGBU HANNONG CHEMICAL CO LTD (KR) | 2003-02-12 | — | — | EP | disclosed |
| CN-1382134-A | Benzopyranyl guanidine derivtives, process for preparation thereof and pharmaceutical compositions containing them | KOREA RES INST CHEM TECH (KR) | 2002-11-27 | — | — | CN | disclosed |
| EP-1228058-A1 | BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Dongbu Hannong Chemical Co., Ltd. (KR) | 2002-08-07 | — | — | EP | disclosed |
| EP-0621491-B1 | Methods for the in vivo measurement of the concentration of NMR-detectable xenobiotic compounds | BRACCO INT BV (NL) | 2002-07-24 | — | — | EP | disclosed |
| WO-2001029023-A1 | BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2001-04-26 | — | — | WO | disclosed |
| US-5603917-A | RECORDING IN VIVO MEASUREMENTS OF INTENSITY OF MAGNETIC RESONANCE SIGNAL FROM XENOBIOTIC COMPOUND, DETERMINING CONCENTRATION BY COMPARISON OF SIGNAL INTENSITY WITH THAT OF STANDARD | BRACCO INTERNATIONAL B. V. (NL) | 1997-02-18 | — | — | US | disclosed |
| US-5468467-A | Methods for the in vivo measurement of the concentration of non-imaging nmr-detectable xenobiotic compounds | BRACCO INTERNATIONAL B.V. (NL) | 1995-11-21 | — | — | US | disclosed |
| CN-1094938-A | The in-vivo measurement method of the detectable biological exogenous compounds concentration of nuclear magnetic resonance, NMR | BRISTOL MYERS SQUIBB CO (US) | 1994-11-16 | — | — | CN | disclosed |