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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 known ✓ | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 known ✓ | P35228 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.39 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2568929 | 0.88 | MEN1 (0.50) | MEN1LMNAKMT2ASPHK2SPHK1 | |
| SCHEMBL1945695 | 0.83 | — | — | |
| Tromethamine SCHEMBL4581519 | 0.80 | LMNA (0.62) | MEN1LMNAKMT2AKDM4EPOLB | |
| Tromethamine SCHEMBL7347818 | 0.80 | LMNA (0.62) | MEN1LMNAKMT2AKDM4EPOLB | |
| Tromethamine SCHEMBL194002 | 0.80 | LMNA (0.62) | MEN1LMNAKMT2AKDM4EPOLB | |
| SCHEMBL13004398 | 0.76 | — | — | |
| SCHEMBL12191370 | 0.74 | LMNA (0.41) | MEN1LMNAKMT2AKDM4EPOLB | |
| Acetic Acid SCHEMBL9509800 | 0.73 | MEN1 (0.45) | MEN1LMNAKMT2AKDM4EFFAR3 | |
| Tromethamine SCHEMBL5891164 | 0.73 | MEN1 (0.53) | MEN1LMNAKMT2AFFAR3LCK | |
| Acetic Acid SCHEMBL11592260 | 0.73 | MEN1 (0.45) | MEN1LMNAKMT2AFFAR3LCK |
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 |
|---|---|---|---|---|---|---|---|
| US-4999369-A | Antitumor agents | BURROUGHS WELLCOME CO. (US) | 1991-03-12 | — | — | US | disclosed |
| US-4910218-A | With a hydroxy containing secondary amine group | BURROUGHS WELLCOME CO. (US) | 1990-03-20 | — | — | US | disclosed |