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 | |
|---|---|---|---|---|
| ▸ | PRKCE | Q02156 | 5/20 | 0.51 |
| ▸ | MYLK | Q15746 | 4/20 | 0.51 |
| ▸ | PRKD3 | O94806 | 3/20 | 0.51 |
| ▸ | PRKCG | P05129 | 3/20 | 0.51 |
| ▸ | PRKCB | P05771 | 3/20 | 0.51 |
| ▸ | PRKCA | P17252 | 3/20 | 0.51 |
| ▸ | PRKCH | P24723 | 3/20 | 0.51 |
| ▸ | PRKCQ | Q04759 | 3/20 | 0.51 |
| ▸ | PRKCD | Q05655 | 3/20 | 0.51 |
| ▸ | PRKD1 | Q15139 | 3/20 | 0.51 |
| ▸ | PRKACA | P17612 | 2/20 | 0.51 |
| ▸ | PRKACG | P22612 | 2/20 | 0.51 |
| ▸ | PRKACB | P22694 | 2/20 | 0.51 |
| ▸ | PHKG2 | P15735 | 1/20 | 0.41 |
| ▸ | PRKCI | P41743 | 1/20 | 0.41 |
| ▸ | PHKA2 | P46019 | 1/20 | 0.41 |
| ▸ | PHKA1 | P46020 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.41 |
| ▸ | PHKG1 | Q16816 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8655464 | 0.91 | PRKCE (0.59) | PRKCEMYLKPRKD3PRKCGPRKCB | |
| Hydrochloric Acid SCHEMBL8654397 | 0.90 | PRKCE (0.58) | PRKCEMYLKPRKD3PRKCGPRKCB | |
| Acetic Acid SCHEMBL8656361 | 0.88 | PRKCE (0.50) | PRKCEMYLKPRKD3PRKCGPRKCB | |
| SCHEMBL8656833 | 0.85 | PRKCB (0.47) | PRKCEMYLKPRKD3PRKCGPRKCB | |
| SCHEMBL8656310 | 0.84 | PRKCE (0.51) | PRKCEMYLKPRKD3PRKCGPRKCB | |
| SCHEMBL8657136 | 0.83 | PRKCB (0.46) | PRKCEMYLKPRKD3PRKCGPRKCB | |
| Hydrochloric Acid SCHEMBL8658412 | 0.83 | PRKCE (0.50) | PRKCEMYLKPRKD3PRKCGPRKCB | |
| SCHEMBL8656425 | 0.82 | PRKD3 (0.45) | PRKCEMYLKPRKD3PRKCGPRKCB | |
| SCHEMBL8656470 | 0.81 | PRKCA (0.42) | PRKCEMYLKPRKD3PRKCGPRKCB | |
| Hydrochloric Acid SCHEMBL8655886 | 0.81 | PRKCE (0.49) | PRKCEMYLKPRKD3PRKCGPRKCB |
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 |
|---|---|---|---|---|---|---|---|
| US-5721245-A | ANTIINFLAMMATORY AGENTS, RESPIRATORY SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS | HOFFMANN-LA ROCHE INC. (US) | 1998-02-24 | — | — | US | disclosed |