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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CCL2 | P13500 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | EDNRA | P25101 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Acetone SCHEMBL17221912 | 0.94 | CYP2D6 (0.38) | MEN1KMT2ACYP2D6ATMPOLB | |
| Methacrylic Acid SCHEMBL28880056 | 0.90 | MEN1 (0.35) | MEN1KMT2ACYP2D6ATMPOLB | |
| Carbamic Acid SCHEMBL27926154 | 0.89 | HTR2A (0.38) | MEN1KMT2ACYP2D6ATMPOLB | |
| SCHEMBL31297722 | 0.88 | HTR2A (0.41) | MEN1KMT2ACYP2D6ATMBRD4 | |
| SCHEMBL29430337 | 0.88 | HTR2A (0.41) | MEN1KMT2ACYP2D6ATMBRD4 | |
| SCHEMBL8693899 | 0.88 | HTR2A (0.41) | MEN1KMT2ACYP2D6ATMBRD4 | |
| SCHEMBL28183014 | 0.88 | HTR2A (0.41) | MEN1KMT2ACYP2D6ATMBRD4 | |
| SCHEMBL30990099 | 0.88 | HTR2A (0.41) | MEN1KMT2ACYP2D6ATMBRD4 | |
| SCHEMBL197033 | 0.88 | HTR2A (0.41) | MEN1KMT2ACYP2D6ATMBRD4 | |
| SCHEMBL8693987 | 0.88 | HTR2A (0.41) | MEN1KMT2ACYP2D6ATMBRD4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111565716-A | Methods of using dipivefrin | 因斯格尼斯疗法有限公司 | 2020-08-21 | — | — | CN | disclosed |
| CN-103974926-B | The method separating ingenol | INDENA S.P.A. (IT) | 2016-11-30 | — | — | CN | disclosed |