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 | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | GAA | P10253 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | CDK9 | P50750 | 1/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL10803241 | 0.93 | TSHR (0.50) | NAPRTHSD17B10TSHRCYP3A4ALOX5 | |
| SCHEMBL44951 | 0.90 | — | — | |
| SCHEMBL28771750 | 0.87 | PHGDH (0.46) | NAPRTHSD17B10TSHRCYP3A4MAPT | |
| Hydrochloric Acid SCHEMBL892263 | 0.87 | KCNH3 (0.47) | NAPRTHSD17B10TSHRCYP3A4MAPT | |
| Fluoride SCHEMBL28139765 | 0.87 | PHGDH (0.46) | NAPRTHSD17B10TSHRCYP3A4MAPT | |
| Hydrochloric Acid SCHEMBL6761971 | 0.87 | KCNH3 (0.47) | NAPRTHSD17B10TSHRCYP3A4MAPT | |
| Formic Acid SCHEMBL29077132 | 0.84 | ALDH1A1 (0.44) | NAPRTHSD17B10TSHRCYP3A4ALOX5 | |
| Sulfuric Acid SCHEMBL6004381 | 0.84 | KEAP1 (0.46) | NAPRTHSD17B10TSHRMAPTGAA | |
| SCHEMBL9620354 | 0.84 | PHGDH (0.45) | NAPRTHSD17B10TSHRCYP3A4ALOX5 | |
| SCHEMBL27672644 | 0.82 | KCNH3 (0.41) | NAPRTHSD17B10TSHRCYP3A4ALOX5 |
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-108017558-A | A kind of preparation method of anise nitrile | 河南省洛阳水文水资源勘测局 | 2018-05-11 | — | — | CN | disclosed |