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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | NPC1 | O15118 | 5/20 | 0.54 |
| ▸ | RAB9A | P51151 | 5/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.49 |
| ▸ | TTR | P02766 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Acetaldehyde SCHEMBL5981408 | 0.94 | NPC1 (0.61) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| Bicarbonate SCHEMBL17747111 | 0.87 | NPC1 (0.59) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL41511 | 0.85 | NPC1 (0.66) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL30021053 | 0.85 | NPC1 (0.66) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| Ammonia Solution, Strong SCHEMBL27784024 | 0.84 | NPC1 (0.63) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL6254969 | 0.84 | NPC1 (0.63) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL9423354 | 0.80 | CHEK1 (0.65) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL3160291 | 0.80 | ALDH1A1 (0.55) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| Tectoquinone SCHEMBL5981629 | 0.80 | ELANE (0.70) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL17208869 | 0.78 | NPC1 (0.56) | ALDH1A1NPC1RAB9AMAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6875746-B1 | Anticancer anthraquinones and method of use thereof | BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) | 2005-04-05 | — | — | US | disclosed |