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 | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1650589 | 0.95 | CA1 (0.51) | CA1CA2CA9CA12CYP19A1 | |
| SCHEMBL30155019 | 0.95 | CA1 (0.51) | CA1CA2CA9CA12CYP19A1 | |
| Succinic Acid SCHEMBL9706877 | 0.88 | CTNNB1 (0.45) | CA1CA2CA9CA12CYP19A1 | |
| Sulfuric Acid SCHEMBL9705330 | 0.81 | CYP19A1 (0.51) | CYP19A1HDAC1HDAC8USP2GAA | |
| SCHEMBL1650349 | 0.79 | CA12 (0.49) | CA1CA2CA9CA12CYP19A1 | |
| SCHEMBL8990514 | 0.79 | EPHX2 (0.53) | CA1CA2CA9CA12CYP19A1 | |
| SCHEMBL9275073 | 0.78 | CYP19A1 (0.47) | CA1CA2CA9CA12CYP19A1 | |
| SCHEMBL4414373 | 0.77 | HDAC1 (0.52) | CA1CA2CA9CA12CYP19A1 | |
| SCHEMBL27528541 | 0.77 | CA12 (0.43) | CA1CA2CA9CA12CYP19A1 | |
| SCHEMBL9269708 | 0.76 | HDAC1 (0.51) | CA1CA2CA9CA12CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2480197-A2 | FORMULATIONS COMPRISING TRIPTAN COMPOUNDS | Dr. Reddy's Laboratories Ltd. (IN) | 2012-08-01 | — | — | EP | disclosed |
| WO-2011036521-A2 | FORMULATIONS COMPRISING TRIPTAN COMPOUNDS | DR. REDDY'S LABORATORIES LIMITED (IN) | 2011-03-31 | — | — | WO | disclosed |