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 | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 0.47 |
| ▸ | NPC1 | O15118 | 5/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | SCN9A | Q15858 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | ACACB | O00763 | 1/20 | 0.43 |
| ▸ | ACACA | Q13085 | 1/20 | 0.43 |
| ▸ | STAT1 | P42224 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2658280 | 0.92 | SCN9A (0.47) | RAB9ANPC1SMN1; SMN2TP53HPGD | |
| Acetic Acid SCHEMBL3043518 | 0.78 | RAB9A (0.49) | RAB9ANPC1SMN1; SMN2TP53HPGD | |
| SCHEMBL27791948 | 0.77 | NPC1 (0.50) | RAB9ANPC1SMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL2658373 | 0.76 | SYK (0.46) | RAB9ANPC1SMN1; SMN2TP53HPGD | |
| SCHEMBL2657937 | 0.74 | MAPT (0.53) | RAB9ANPC1SMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL13822849 | 0.73 | GCK (0.57) | RAB9ANPC1HPGDALDH1A1MEN1 | |
| SCHEMBL3040689 | 0.73 | GAA (0.52) | RAB9ANPC1SMN1; SMN2TP53HPGD | |
| SCHEMBL13822848 | 0.71 | RAB9A (0.45) | RAB9ANPC1SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL2669505 | 0.71 | MAPT (0.43) | RAB9ANPC1SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL2656232 | 0.71 | NR3C1 (0.56) | RAB9ANPC1SMN1; SMN2TP53HPGD |
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-8420642-B2 | Pyridine derivatives useful as glucokinase activators | MERCK PATENT GMBH (DE) | 2013-04-16 | — | — | US | claimed |
| US-20100216794-A1 | PYRIDINE DERIVATIVES USEFUL AS GLUCOKINASE ACTIVATORS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2010-08-26 | — | — | US | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100216794-A1 | PYRIDINE DERIVATIVES USEFUL AS GLUCOKINASE ACTIVATORS | HK1, GCKR, GCK | RAB9A 3858/4885NPC1 2816/4885SMN1; SMN2 2817/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.