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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.77 |
| ▸ | HPGD | P15428 | 5/20 | 0.77 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.77 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.77 |
| ▸ | POLB | P06746 | 3/20 | 0.77 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.77 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.77 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.77 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.77 |
| ▸ | CLK2 | P49760 | 1/20 | 0.77 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.77 |
| ▸ | MEN1 | O00255 | 1/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 3/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | TOP2A | P11388 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL1155026 | 0.98 | KDM4E (0.80) | KDM4EALDH1A1HPGDKCNH2HSD17B10 | |
| Water SCHEMBL28828205 | 0.97 | KDM4E (0.79) | KDM4EALDH1A1HPGDKCNH2HSD17B10 | |
| Methyl Alcohol SCHEMBL29163210 | 0.97 | KDM4E (0.79) | KDM4EALDH1A1HPGDKCNH2HSD17B10 | |
| SCHEMBL27918942 | 0.97 | KDM4E (0.79) | KDM4EALDH1A1HPGDKCNH2HSD17B10 | |
| Hydrochloric Acid SCHEMBL9751979 | 0.97 | KDM4E (0.79) | KDM4EALDH1A1HPGDKCNH2HSD17B10 | |
| Water SCHEMBL27625917 | 0.97 | KDM4E (0.79) | KDM4EALDH1A1HPGDKCNH2HSD17B10 | |
| SCHEMBL28079403 | 0.97 | KDM4E (0.79) | KDM4EALDH1A1HPGDKCNH2HSD17B10 | |
| SCHEMBL9773833 | 0.95 | KDM4E (0.75) | KDM4EALDH1A1HPGDKCNH2HSD17B10 | |
| SCHEMBL27002955 | 0.94 | KDM4E (0.74) | KDM4EALDH1A1HPGDKCNH2HSD17B10 | |
| SCHEMBL11975675 | 0.93 | KDM4E (0.81) | KDM4EALDH1A1HPGDKCNH2HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112292393-A | Dual-function blood brain therapy | 比奥阿赛斯技术有限公司 | 2021-01-29 | — | — | CN | disclosed |