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 | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 3/20 | 0.50 |
| ▸ | CASP1 | P29466 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 4/20 | 0.47 |
| ▸ | CA2 | P00918 | 4/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | F10 | P00742 | 9/20 | 0.47 |
| ▸ | CA5A | P35218 | 2/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.44 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.44 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | CA6 | P23280 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL48885 | 0.90 | CA2 (0.52) | SCN9ACA1CA2CA9F10 | |
| Methane SCHEMBL27503773 | 0.88 | CA2 (0.50) | SCN9ACA1CA2CA9F10 | |
| Hydrochloric Acid SCHEMBL6399557 | 0.88 | CA2 (0.50) | SCN9ACA1CA2CA9F10 | |
| Trimethylammonium SCHEMBL27979852 | 0.87 | CA2 (0.45) | SCN9ACA1CA2CA9F10 | |
| Formic Acid SCHEMBL6028133 | 0.85 | CASP1 (0.49) | SCN9ACASP1CA1CA2CA9 | |
| Trifluoroacetic Acid SCHEMBL15924604 | 0.84 | PRSS1 (0.55) | SCN9AF10PRSS1F2PRSS2 | |
| SCHEMBL27842438 | 0.84 | CA1 (0.54) | SCN9ACA1CA2CA9F10 | |
| SCHEMBL8350056 | 0.84 | CA1 (0.54) | SCN9ACA1CA2CA9CA5A | |
| SCHEMBL8659843 | 0.82 | CA2 (0.48) | SCN9ACA1CA2CA9CA5A | |
| SCHEMBL3312743 | 0.82 | CA1 (0.56) | SCN9ACA1CA2CA9F10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004039762-A1 | PHENETHANOLAMINE DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES | GLAXO GROUP LIMITED (GB) | 2004-05-13 | — | — | WO | disclosed |