Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CALCRLCHRM1CHRM2CHRM3F2RMAOAMAOBMAP2K1MAP2K2NTRK1NTRK2NTRK3OPRD1OPRK1OPRM1P2RY12PKLRSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASLC18A2SLC6A2SLC6A3TLR7TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8dacAdacBdacCfolAftsImrcAmrcBmrdApolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmB1rpmB2rpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmHrpmIrpmJrpmJ2rpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsR1rpsR2rpsSrpsTrpsUrpsZykgMykgO
The experimentally established mechanism targets of Sulfuric 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 | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.67 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.67 |
| ▸ | STS | P08842 | 9/20 | 0.67 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.67 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.67 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.67 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.67 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.67 |
| ▸ | LMNA | P02545 | 2/20 | 0.67 |
| ▸ | MAPT | P10636 | 2/20 | 0.67 |
| ▸ | ESR1 | P03372 | 2/20 | 0.67 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.67 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.67 |
| ▸ | SHBG | P04278 | 1/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.67 |
| ▸ | PGR | P06401 | 1/20 | 0.67 |
| ▸ | SERPINA6 | P08185 | 1/20 | 0.67 |
| ▸ | AR | P10275 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL28338435 | 1.00 | STS (0.67) | STSABCC4CYP2C9ABCC1SLCO1B1 | |
| Piperazine SCHEMBL28337406 | 0.94 | CYP3A4 (0.70) | STSABCC4CYP2C9ABCC1SLCO1B1 | |
| SCHEMBL14079692 | 0.94 | STS (0.70) | STSABCC4CYP2C9ABCC1SLCO1B1 | |
| SCHEMBL29539187 | 0.94 | STS (0.70) | STSABCC4CYP2C9ABCC1SLCO1B1 | |
| SCHEMBL1258196 | 0.94 | STS (0.70) | STSABCC4CYP2C9ABCC1SLCO1B1 | |
| SCHEMBL10031984 | 0.94 | STS (0.70) | STSABCC4CYP2C9ABCC1SLCO1B1 | |
| SCHEMBL5677682 | 0.94 | STS (0.70) | STSABCC4CYP2C9ABCC1SLCO1B1 | |
| SCHEMBL30958754 | 0.92 | STS (0.69) | STSABCC4CYP2C9ABCC1SLCO1B1 | |
| Trifluoromethanesulfonic Acid SCHEMBL10528725 | 0.92 | STS (0.70) | STSABCC4CYP2C9ABCC1SLCO1B1 | |
| Piperazine SCHEMBL2818721 | 0.88 | CYP3A4 (0.64) | STSABCC4CYP2C9ABCC1SLCO1B1 |
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-110590896-B | Preparation method of estrone sulfate piperazine | 上海高准医药有限公司 | 2022-08-30 | — | — | CN | claimed |
| CN-110590896-B | Preparation method of estrone sulfate piperazine | 上海高准医药有限公司 | 2022-08-30 | — | — | CN | disclosed |