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 | |
|---|---|---|---|---|
| ▸ | AGTR1 known ✓ | P30556 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 15/20 | 0.56 |
| ▸ | MEN1 | O00255 | 14/20 | 0.56 |
| ▸ | NPC1 | O15118 | 10/20 | 0.56 |
| ▸ | RAB9A | P51151 | 8/20 | 0.56 |
| ▸ | LCK | P06239 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | POLB | P06746 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 7/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | CD74 | P04233 | 1/20 | 0.45 |
| ▸ | MIF | P14174 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
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 SCHEMBL4458652 | 1.00 | KMT2A (0.56) | KMT2AMEN1NPC1RAB9ALCK | |
| Acetic Acid SCHEMBL4458658 | 1.00 | KMT2A (0.56) | KMT2AMEN1NPC1RAB9ALCK | |
| SCHEMBL28433359 | 0.94 | KMT2A (0.61) | KMT2AMEN1NPC1RAB9ALCK | |
| SCHEMBL28433360 | 0.94 | KMT2A (0.61) | KMT2AMEN1NPC1RAB9ALCK | |
| SCHEMBL4458654 | 0.84 | KMT2A (0.60) | KMT2AMEN1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL31649237 | 0.75 | NPC1 (0.58) | KMT2AMEN1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6721107 | 0.75 | MEN1 (0.58) | KMT2AMEN1NPC1RAB9ALCK | |
| SCHEMBL28424937 | 0.72 | KMT2A (0.44) | KMT2AMEN1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28424936 | 0.72 | KMT2A (0.44) | KMT2AMEN1NPC1RAB9ASMN1; SMN2 | |
| Nifurpirinol SCHEMBL148540 | 0.71 | KMT2A (0.48) | KMT2AMEN1NPC1RAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009140215-A2 | METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS | GERAGHTY, ERIN (US) | 2009-11-19 | — | — | WO | claimed |
| WO-2009140215-A2 | METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS | GERAGHTY, ERIN (US) | 2009-11-19 | — | — | WO | disclosed |