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 | 1/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.63 |
| ▸ | GAA | P10253 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL10708681 | 1.00 | MEN1 (0.63) | MEN1KMT2AGAAKDM4ECYP2C9 | |
| Morpholine SCHEMBL29207396 | 0.97 | KMT2A (0.58) | MEN1KMT2AGAAKDM4ECYP2C9 | |
| Morpholine SCHEMBL219044 | 0.97 | KMT2A (0.58) | MEN1KMT2AGAAKDM4ECYP2C9 | |
| Acetic Acid SCHEMBL28048691 | 0.95 | KDM4E (0.63) | MEN1KMT2AGAAKDM4ECYP2C9 | |
| Morpholine SCHEMBL29076892 | 0.95 | KMT2A (0.55) | MEN1KMT2AGAAKDM4ECYP2C9 | |
| Morpholine SCHEMBL15572290 | 0.92 | MEN1 (0.52) | MEN1KMT2AGAAKDM4ECYP2C9 | |
| Morpholine SCHEMBL15572639 | 0.92 | MEN1 (0.52) | MEN1KMT2AGAAKDM4ECYP2C9 | |
| Morpholine SCHEMBL27737341 | 0.89 | GAA (0.61) | MEN1KMT2AGAAKDM4ECYP2C9 | |
| Morpholine SCHEMBL15510851 | 0.88 | MEN1 (0.48) | MEN1KMT2AGAAKDM4ECYP2C9 | |
| Morpholine SCHEMBL28632200 | 0.88 | KMT2A (0.48) | MEN1KMT2AGAAKDM4ECYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-4783528-A | Steroidal lariat ethers | UNIVERSITY OF MIAMI (DEPARTMENT OF CHEMISTRY) | 1988-11-08 | — | — | US | claimed |
| US-4783528-A | Steroidal lariat ethers | UNIVERSITY OF MIAMI (DEPARTMENT OF CHEMISTRY) | 1988-11-08 | — | — | US | disclosed |