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 | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 6/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.59 |
| ▸ | MEN1 | O00255 | 3/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | DDO | Q99489 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.47 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.45 |
| ▸ | RAF1 | P04049 | 1/20 | 0.45 |
| ▸ | TPMT | P51580 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL51830 | 0.90 | HCAR2 (0.70) | HCAR2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL31064103 | 0.88 | HCAR2 (0.63) | HCAR2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL433567 | 0.88 | HCAR2 (0.63) | HCAR2ALDH1A1KDM4EMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL7124062 | 0.87 | HCAR2 (0.67) | HCAR2ALDH1A1KDM4EMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL7661020 | 0.87 | HCAR2 (0.67) | HCAR2ALDH1A1KDM4EMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL1117746 | 0.87 | HCAR2 (0.67) | HCAR2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL19987838 | 0.87 | HCAR2 (0.67) | HCAR2ALDH1A1KDM4EMEN1KMT2A | |
| Bromide SCHEMBL21332093 | 0.87 | HCAR2 (0.67) | HCAR2ALDH1A1KDM4EMEN1KMT2A | |
| Fluoride SCHEMBL21331909 | 0.87 | HCAR2 (0.67) | HCAR2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL3509306 | 0.85 | HCAR2 (0.59) | HCAR2ALDH1A1KDM4EMEN1KMT2A |
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-108539145-A | Preparation method of lithium titanate negative electrode material of lithium ion secondary battery | 合肥国轩高科动力能源有限公司 | 2018-09-14 | — | — | CN | disclosed |