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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.80 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.80 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL7532494 | 0.89 | KDM4E (1.00) | KDM4EL3MBTL1BCAT2SMN1; SMN2NPC1 | |
| SCHEMBL4408535 | 0.89 | KDM4E (1.00) | KDM4EL3MBTL1BCAT2SMN1; SMN2NPC1 | |
| SCHEMBL11450084 | 0.87 | KDM4E (0.66) | KDM4EL3MBTL1BCAT2SMN1; SMN2NPC1 | |
| SCHEMBL11654517 | 0.85 | KDM4E (0.62) | KDM4EL3MBTL1BCAT2SMN1; SMN2NPC1 | |
| Acetic Acid SCHEMBL8330086 | 0.85 | BCAT2 (0.66) | KDM4EL3MBTL1BCAT2SMN1; SMN2NPC1 | |
| SCHEMBL12186411 | 0.84 | KDM4E (0.80) | KDM4EL3MBTL1BCAT2SMN1; SMN2NPC1 | |
| SCHEMBL7114926 | 0.84 | KDM4E (0.80) | KDM4EL3MBTL1BCAT2NPC1RAB9A | |
| Acetic Acid SCHEMBL11142923 | 0.83 | MEN1 (0.57) | KDM4EL3MBTL1BCAT2SMN1; SMN2NPC1 | |
| SCHEMBL50338 | 0.82 | BCAT2 (0.68) | KDM4EL3MBTL1BCAT2SMN1; SMN2NPC1 | |
| SCHEMBL885090 | 0.82 | BCAT2 (0.68) | KDM4EL3MBTL1BCAT2SMN1; SMN2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5574050-A | Hydroxyl ions as unique therapeutic agents and processes for preparing them | FHJ SCIENTIFIC, INC. (US) | 1996-11-12 | — | — | US | claimed |
| US-5585391-A | Hydroxyl ions as unique therapeutic agents and compounds that modulate these ions, compositions employing these agents, therapeutic methods for using such agents and processes for preparing them | FHJ SCIENTIFIC, INC. (US) | 1996-12-17 | — | — | US | disclosed |
| US-5574050-A | Hydroxyl ions as unique therapeutic agents and processes for preparing them | FHJ SCIENTIFIC, INC. (US) | 1996-11-12 | — | — | US | disclosed |
| US-5514808-A | Hydroxyl ions as unique therapeutic agents and compounds that modulate these ions | FHJ SCIENTIFIC, INC (US) | 1996-05-07 | — | — | US | disclosed |