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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
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 SCHEMBL28291888 | 0.98 | LMNA (0.57) | LMNANAPRTHSD17B10NPC1RAB9A | |
| SCHEMBL9573532 | 0.89 | LMNA (0.59) | LMNAHSD17B10NPC1RAB9AL3MBTL1 | |
| SCHEMBL28231857 | 0.89 | LMNA (0.59) | LMNAHSD17B10NPC1RAB9AL3MBTL1 | |
| Acetic Acid SCHEMBL28914685 | 0.88 | LMNA (0.52) | LMNANAPRTHSD17B10NPC1RAB9A | |
| Malonic Acid SCHEMBL8978416 | 0.87 | LMNA (0.55) | LMNANAPRTHSD17B10NPC1RAB9A | |
| Bicarbonate SCHEMBL28218650 | 0.87 | LMNA (0.55) | LMNANAPRTHSD17B10NPC1RAB9A | |
| Urea SCHEMBL8618609 | 0.87 | ADRA2A (0.56) | LMNANAPRTHSD17B10NPC1RAB9A | |
| Methyl Alcohol SCHEMBL5316416 | 0.86 | LMNA (0.57) | LMNAHSD17B10NPC1RAB9AL3MBTL1 | |
| Hydrochloric Acid SCHEMBL8558313 | 0.86 | LMNA (0.57) | LMNAHSD17B10NPC1RAB9AL3MBTL1 | |
| SCHEMBL7709 | 0.86 | — | — |
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-112920066-A | Alpha-substituted-alpha-amino acid ester compound and preparation method thereof | 华南理工大学 | 2021-06-08 | — | — | CN | disclosed |