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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | HPGD | P15428 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 SCHEMBL663243 | 0.97 | CYP2C19 (0.40) | CYP2D6CYP2C19MTNR1AMTNR1BKDM4E | |
| Acetic Acid SCHEMBL28805964 | 0.94 | CYP2D6 (0.41) | CYP2D6CYP2C19MTNR1AMTNR1BKDM4E | |
| Acetone SCHEMBL27616570 | 0.92 | CYP2C19 (0.38) | CYP2D6CYP2C19MTNR1AMTNR1BKDM4E | |
| Bicarbonate SCHEMBL27933722 | 0.90 | TSHR (0.36) | CYP2D6CYP2C19MTNR1AMTNR1BKDM4E | |
| Benzene SCHEMBL27923188 | 0.90 | CYP3A4 (0.39) | CYP2D6CYP2C19KDM4EALDH1A1HPGD | |
| Acetic Acid SCHEMBL27285230 | 0.90 | CYP2D6 (0.39) | CYP2D6CYP2C19MTNR1AMTNR1BKDM4E | |
| Oxalic Acid SCHEMBL27401043 | 0.89 | CYP2C19 (0.35) | CYP2D6CYP2C19MTNR1AMTNR1BKDM4E | |
| Ethyne SCHEMBL3267057 | 0.88 | CYP3A4 (0.40) | CYP2D6CYP2C19KDM4EALDH1A1HPGD | |
| Methyl Alcohol SCHEMBL27613739 | 0.87 | CYP3A4 (0.39) | CYP2D6CYP2C19KDM4EALDH1A1HPGD | |
| SCHEMBL28022926 | 0.87 | CYP3A4 (0.39) | CYP2D6CYP2C19KDM4EALDH1A1HPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103122410-B | Method for extracting and grouping-separating light, middle and heavy rare earth elements in multi-rare earth complex solution | INST PROCESS ENG CAS | 2015-02-18 | — | — | CN | claimed |
| CN-105603220-B | A method of step by step arithmetic vanadium chromium and removing aluminium silicon from alkaline aqueous solution | 中国科学院过程工程研究所 | 2018-07-17 | — | — | CN | disclosed |
| CN-103122410-B | Method for extracting and grouping-separating light, middle and heavy rare earth elements in multi-rare earth complex solution | INST PROCESS ENG CAS | 2015-02-18 | — | — | CN | disclosed |