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 | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.48 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.41 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.41 |
| ▸ | TUBB | P07437 | 2/20 | 0.41 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.41 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.41 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.41 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.41 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.41 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.41 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.41 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.41 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.41 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.41 |
| ▸ | TUBB6 | Q9BUF5 | 2/20 | 0.41 |
| ▸ | TUBB2B | Q9BVA1 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL579053 | 0.81 | EGFR (0.49) | EGFRHDAC3TDP1HDAC8HDAC6 | |
| SCHEMBL5858046 | 0.81 | EGFR (0.51) | EGFRHDAC3TDP1HDAC8HDAC6 | |
| SCHEMBL8722883 | 0.81 | EGFR (0.51) | EGFRHDAC3TDP1HDAC8HDAC6 | |
| SCHEMBL8722881 | 0.81 | EGFR (0.51) | EGFRHDAC3TDP1HDAC8HDAC6 | |
| SCHEMBL5858044 | 0.81 | EGFR (0.51) | EGFRHDAC3TDP1HDAC8HDAC6 | |
| SCHEMBL10076938 | 0.80 | HTR2A (0.47) | HDAC3HDAC8HDAC6HDAC1HDAC2 | |
| SCHEMBL29180935 | 0.78 | EGFR (0.44) | EGFRCSNK1EHDAC3TDP1HDAC8 | |
| SCHEMBL1221307 | 0.78 | EGFR (0.44) | EGFRCSNK1EHDAC3TDP1HDAC8 | |
| SCHEMBL27642615 | 0.77 | EGFR (0.47) | EGFRCSNK1ETDP1TUBB4ATUBB | |
| SCHEMBL20873608 | 0.77 | EGFR (0.45) | EGFRHDAC3TDP1HDAC8HDAC6 |
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-107810260-B | Laundry detergent compositions | 荷兰联合利华有限公司 | 2020-07-17 | — | — | CN | disclosed |