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 | |
|---|---|---|---|---|
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.56 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.54 |
| ▸ | CAMKK2 | Q96RR4 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | AXL | P30530 | 1/20 | 0.50 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.49 |
| ▸ | MET | P08581 | 2/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | CDC7 | O00311 | 1/20 | 0.47 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.42 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.42 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | KDM6B | O15054 | 1/20 | 0.41 |
| ▸ | KDM6A | O15550 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2111969 | 0.89 | AXL (0.60) | MAP2K1MTNR1ACAMKK2KMT2AAXL | |
| Ethoxycarbonyl Group SCHEMBL27574859 | 0.78 | KMT2A (0.49) | MAP2K1MTNR1ACAMKK2KMT2AAXL | |
| SCHEMBL2991525 | 0.78 | MAP2K1 (0.71) | MAP2K1MTNR1ACAMKK2KMT2AAXL | |
| SCHEMBL29468201 | 0.77 | MAP2K1 (0.71) | MAP2K1MTNR1ACAMKK2KMT2AAXL | |
| SCHEMBL985214 | 0.77 | MAP2K1 (0.71) | MAP2K1MTNR1ACAMKK2KMT2AAXL | |
| Hydrochloric Acid SCHEMBL3608101 | 0.76 | MAP2K1 (0.69) | MAP2K1MTNR1ACAMKK2KMT2AAXL | |
| SCHEMBL13325426 | 0.75 | MAP2K1 (0.68) | MAP2K1MTNR1ACAMKK2KMT2AAXL | |
| SCHEMBL1558087 | 0.75 | MAP2K1 (0.55) | MAP2K1MTNR1ACAMKK2KMT2AAXL | |
| SCHEMBL6099539 | 0.75 | KMT2A (0.56) | MAP2K1MTNR1ACAMKK2KMT2AAXL | |
| Methoxymethane SCHEMBL28146835 | 0.75 | MAP2K1 (0.77) | MAP2K1MTNR1ACAMKK2KMT2AAXL |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2379549-B1 | 7-AZAINDIRUBINS, 7'-AZAINDIRUBINS, 7-7'-DIAZAINDIRUBIN AND THE CORRESPONDING 3'-OXIME ETHER DERIVATES: PRODUCTION THEREOF, THEIR PRODUCTION AND USE AS A MEDICAMENT | EISENBRAND GERHARD (DE) | 2016-09-21 | — | — | EP | disclosed |
| EP-2379549-A1 | 7-AZAINDIRUBINS, 7'AZAINDIRUBINS, 7,7'-DIAZAINDIRUBINS AND THE CORRESPONDING 3'-OXIME ETHER DERIVATIVES THEREOF, THEIR PRODUCTION AND USE AS A MEDICAMENT | Eisenbrand, Gerhard (DE) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010072399-A1 | 7-AZAINDIRUBINS, 7'AZAINDIRUBINS, 7,7'-DIAZAINDIRUBINS AND THE CORRESPONDING 3'-OXIME ETHER DERIVATIVES THEREOF, THEIR PRODUCTION AND USE AS A MEDICAMENT | EISENBRAND GERHARD (DE) | 2010-07-01 | — | — | WO | disclosed |
| EP-2199292-A1 | 7-azaindirubins, 7'-azaindirubins, 7-7'-diazaindirubin and the corresponding 3'-oxime ether derivates: production thereof, their production and use as a medicament | Technische Universität Kaiserlautern (DE) | 2010-06-23 | — | — | EP | disclosed |