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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.82 |
| ▸ | CA4 | P22748 | 4/20 | 0.69 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.58 |
| ▸ | BLM | P54132 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | LDHA | P00338 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
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 SCHEMBL28849631 | 1.00 | CA1 (0.82) | CA1CA4FAHD1BLMMEN1 | |
| Acetic Acid SCHEMBL28225613 | 0.95 | CA1 (0.80) | CA1CA4FAHD1BLMMEN1 | |
| Acetic Acid SCHEMBL27241878 | 0.95 | CA1 (0.90) | CA1CA4FAHD1BLMMEN1 | |
| Acetic Acid SCHEMBL9516917 | 0.95 | CA1 (0.90) | CA1CA4FAHD1BLMMEN1 | |
| Acetic Acid SCHEMBL2598301 | 0.95 | CA1 (0.90) | CA1CA4FAHD1BLMMEN1 | |
| Acetic Acid SCHEMBL11768103 | 0.91 | CA1 (0.82) | CA1CA4FAHD1BLMMEN1 | |
| Acetic Acid SCHEMBL28859803 | 0.91 | CA1 (0.82) | CA1CA4FAHD1BLMMEN1 | |
| Acetic Acid SCHEMBL27973702 | 0.91 | — | — | |
| Acetic Acid SCHEMBL3368336 | 0.91 | CA1 (0.73) | CA1CA4FAHD1BLMMEN1 | |
| Acetic Acid SCHEMBL7055856 | 0.91 | CA1 (0.82) | CA1CA4FAHD1BLMMEN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010097675-A1 | AN IMPROVED PREPARATION PROCESS FOR CEFPODOXIME PROXETIL | DHANUKA LABORATORIES LTD. (IN) | 2010-09-02 | — | — | WO | claimed |
| CN-110114350-A | Substituted guanidine compounds | 宇部兴产株式会社 | 2019-08-09 | — | — | CN | disclosed |
| CN-107922379-A | Substituted guanidine derivatives | 宇部兴产株式会社 | 2018-04-17 | — | — | CN | disclosed |
| CN-105764888-B | A kind of new 3 azabicyclos [3.1.0] hexame derivatives and its medical usage | 株式会社三和化学研究所 | 2018-04-06 | — | — | CN | disclosed |
| CN-107428687-A | Novel crystal of salt of 3-azabicyclo [3.1.0] hexane derivative and medical application thereof | 株式会社三和化学研究所 | 2017-12-01 | — | — | CN | disclosed |
| CN-105764888-A | Novel 3-azabicyclo[3.1.0]hexane derivative and use thereof for medical purposes | 株式会社三和化学研究所 | 2016-07-13 | — | — | CN | disclosed |