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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 7/20 | 0.47 |
| ▸ | RAB9A | P51151 | 7/20 | 0.47 |
| ▸ | HTT | P42858 | 6/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.47 |
| ▸ | GALR3 | O60755 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 2/20 | 0.47 |
| ▸ | APOBEC3A | P31941 | 2/20 | 0.47 |
| ▸ | APOBEC3G | Q9HC16 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | RAD52 | P43351 | 1/20 | 0.47 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.47 |
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 SCHEMBL30331063 | 1.00 | SMN1; SMN2 (0.49) | SMN1; SMN2HSP90AA1MEN1KMT2ANPC1 | |
| SCHEMBL19542136 | 0.89 | NPC1 (0.55) | SMN1; SMN2HSP90AA1MEN1KMT2ANPC1 | |
| Urea SCHEMBL28086323 | 0.88 | NPC1 (0.47) | SMN1; SMN2HSP90AA1MEN1KMT2ANPC1 | |
| SCHEMBL5601944 | 0.87 | NPC1 (0.57) | SMN1; SMN2HSP90AA1MEN1KMT2ANPC1 | |
| SCHEMBL5602162 | 0.87 | NPC1 (0.57) | SMN1; SMN2HSP90AA1MEN1KMT2ANPC1 | |
| SCHEMBL5604022 | 0.87 | NPC1 (0.57) | SMN1; SMN2HSP90AA1MEN1KMT2ANPC1 | |
| SCHEMBL5602339 | 0.87 | NPC1 (0.57) | SMN1; SMN2HSP90AA1MEN1KMT2ANPC1 | |
| SCHEMBL5601524 | 0.87 | NPC1 (0.57) | SMN1; SMN2HSP90AA1MEN1KMT2ANPC1 | |
| SCHEMBL5599875 | 0.87 | NPC1 (0.57) | SMN1; SMN2HSP90AA1MEN1KMT2ANPC1 | |
| SCHEMBL5604253 | 0.87 | NPC1 (0.57) | SMN1; SMN2HSP90AA1MEN1KMT2ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023046704-A1 | ELECTROCHEMICAL GAS SENSOR AND ELECTROLYTE FOR AN ELECTROCHEMICAL GAS SENSOR | Dräger Safety AG & Co. KGaA (DE) | 2023-03-30 | — | — | WO | disclosed |