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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 9/20 | 0.71 |
| ▸ | HPGD | P15428 | 1/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL664120 | 0.97 | TSHR (0.76) | TSHRHPGDALDH1A1CYP3A4ATM | |
| SCHEMBL8356892 | 0.97 | TSHR (0.76) | TSHRHPGDALDH1A1CYP3A4ATM | |
| SCHEMBL10823313 | 0.97 | TSHR (0.76) | TSHRHPGDALDH1A1CYP3A4ATM | |
| Acrylic Acid SCHEMBL5132883 | 0.95 | TSHR (0.69) | TSHRHPGDALDH1A1CYP3A4ATM | |
| Ethylene SCHEMBL1412721 | 0.95 | TSHR (0.73) | TSHRHPGDALDH1A1CYP3A4ATM | |
| Butadiene SCHEMBL29013351 | 0.94 | TSHR (0.71) | TSHRHPGDALDH1A1CYP3A4ATM | |
| Maleic Acid SCHEMBL10984438 | 0.92 | TSHR (0.65) | TSHRHPGDALDH1A1CYP3A4ATM | |
| Fumaric Acid SCHEMBL10984440 | 0.92 | TSHR (0.65) | TSHRHPGDALDH1A1CYP3A4ATM | |
| Acrylic Acid Ethyl Ester SCHEMBL3698296 | 0.92 | TSHR (0.69) | TSHRHPGDALDH1A1CYP3A4ATM | |
| SCHEMBL29013350 | 0.92 | TSHR (0.69) | TSHRHPGDALDH1A1CYP3A4ATM |
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 |
|---|---|---|---|---|---|---|---|
| CN-105199502-B | A kind of mulch | 中国石油化工集团公司 | 2018-07-20 | — | — | CN | disclosed |
| CN-105199502-A | Mulching film | CHINA PETROCHEMICAL CORP | 2015-12-30 | — | — | CN | disclosed |