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 | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.55 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA4 | P22748 | 1/20 | 0.51 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | PTPRF | P10586 | 1/20 | 0.46 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
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 SCHEMBL9334204 | 0.97 | CHRM2 (0.63) | CHRM2MEN1KMT2AHDAC3HDAC1 | |
| SCHEMBL6575468 | 0.91 | CHRM2 (0.76) | CHRM2MEN1KMT2AHDAC3HDAC1 | |
| SCHEMBL30814822 | 0.91 | CHRM2 (0.76) | CHRM2MEN1KMT2AHDAC3HDAC1 | |
| Hydrochloric Acid SCHEMBL8895503 | 0.90 | CHRM2 (0.73) | CHRM2MEN1KMT2AHDAC3HDAC1 | |
| SCHEMBL1520064 | 0.88 | CHRM2 (0.75) | CHRM2MEN1KMT2AHDAC3HDAC1 | |
| SCHEMBL10874545 | 0.82 | CHRM2 (0.76) | CHRM2MEN1KMT2AHDAC3HDAC1 | |
| SCHEMBL11597593 | 0.82 | CHRM2 (0.79) | CHRM2MEN1KMT2AHDAC3HDAC1 | |
| Acetic Acid SCHEMBL31201831 | 0.81 | KMT2A (0.52) | CHRM2MEN1KMT2AHDAC3HDAC1 | |
| Acetic Acid SCHEMBL10379151 | 0.81 | ITGB1 (0.42) | CHRM2MEN1KMT2AHDAC3HDAC1 | |
| Acetic Acid SCHEMBL29170764 | 0.81 | KMT2A (0.59) | CHRM2MEN1KMT2AHDAC3HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0355860-A1 | A bifunctional metal chelating agent and a precursor compound | GANSOW, Otto A. (US) | 1990-02-28 | — | — | EP | disclosed |
| EP-0315220-A1 | Method of forming a metal chelate protein conjugate | GANSOW, Otto A. (US) | 1989-05-10 | — | — | EP | disclosed |