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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.72 |
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 2/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7578944 | 0.96 | TSHR (0.78) | TSHRHCAR2HPGDCYP3A4ALDH1A1 | |
| SCHEMBL7958163 | 0.94 | TSHR (0.83) | TSHRHCAR2HPGDCYP3A4ALDH1A1 | |
| SCHEMBL6600454 | 0.94 | TSHR (0.83) | TSHRHCAR2HPGDCYP3A4ALDH1A1 | |
| SCHEMBL7627062 | 0.94 | TSHR (0.83) | TSHRHCAR2HPGDCYP3A4ALDH1A1 | |
| SCHEMBL8640150 | 0.94 | TSHR (0.83) | TSHRHCAR2HPGDCYP3A4ALDH1A1 | |
| SCHEMBL3401565 | 0.94 | TSHR (0.83) | TSHRHCAR2HPGDCYP3A4ALDH1A1 | |
| SCHEMBL5993716 | 0.94 | TSHR (0.83) | TSHRHCAR2HPGDCYP3A4ALDH1A1 | |
| SCHEMBL17139830 | 0.92 | TSHR (0.81) | TSHRHCAR2HPGDCYP3A4ALDH1A1 | |
| SCHEMBL8213029 | 0.92 | TSHR (0.85) | TSHRHCAR2HPGDCYP3A4ALDH1A1 | |
| SCHEMBL6746745 | 0.91 | TSHR (0.66) | TSHRHCAR2HPGDCYP3A4ALDH1A1 |
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-6689460-B2 | CARRIER SHEET WITH A PRESSURE-SENSITIVE ADHESIVE THEREON; AND AN AQUEOUS DISPERSION PRIMER TO PROMOTE ADHESION BETWEEN A CONSTRUCTION SURFACE AND THE MEMBRANE COMPOSED OF AN INTERPOLYMER OF A VINYL ACETATE, A MALEATE AND/OR AN ACRYLATE | W. R. GRACE & CO.-CONN. | 2004-02-10 | — | — | US | disclosed |
| US-20030003314-A1 | Primer/membrane barrier system | VERIFI LLC | 2003-01-02 | — | — | US | disclosed |