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 | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 4/20 | 0.38 |
| ▸ | CHRNA3 known ✓ | P32297 | 4/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.46 |
| ▸ | SPHK1 | Q9NYA1 | 4/20 | 0.42 |
| ▸ | KDM5A | P29375 | 3/20 | 0.40 |
| ▸ | PHF8 | Q9UPP1 | 3/20 | 0.40 |
| ▸ | KDM2A | Q9Y2K7 | 3/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.40 |
| ▸ | ALB | P02768 | 1/20 | 0.40 |
| ▸ | KDM4A | O75164 | 1/20 | 0.40 |
| ▸ | METAP2 | P50579 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1827420 | 0.87 | SIGMAR1 (0.55) | SIGMAR1SPHK1KDM5APHF8KDM2A | |
| Iminoctadiene SCHEMBL15752679 | 0.82 | MEN1 (0.48) | SPHK1ALB | |
| Iminoctadiene SCHEMBL401913 | 0.82 | MEN1 (0.48) | SPHK1ALB | |
| Iminoctadiene SCHEMBL15757267 | 0.82 | MEN1 (0.48) | SPHK1ALB | |
| Iminoctadiene SCHEMBL69099 | 0.82 | MEN1 (0.48) | SPHK1ALB | |
| Acetic Acid SCHEMBL9429226 | 0.81 | SIGMAR1 (0.39) | SIGMAR1KDM5APHF8KDM2AKDM4C | |
| Sulfuric Acid SCHEMBL11561143 | 0.80 | ALOX15 (0.49) | SIGMAR1SPHK1ALBADAMTS4ADAMTS5 | |
| SCHEMBL16570238 | 0.78 | SIGMAR1 (0.55) | SIGMAR1SPHK1KDM5APHF8KDM2A | |
| SCHEMBL6255210 | 0.78 | SIGMAR1 (0.55) | SIGMAR1SPHK1KDM5APHF8KDM2A | |
| SCHEMBL24115530 | 0.78 | SIGMAR1 (0.59) | SIGMAR1KDM5APHF8KDM2AKDM4C |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0472093-B1 | Bis guanidines and fungicides containing same | BASF AG (DE) | 1993-11-03 | — | — | EP | claimed |