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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.49 |
| ▸ | PDE4A | P27815 | 2/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.49 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.49 |
| ▸ | PIK3CA | P42336 | 5/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | FPR2 | P25090 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
| ▸ | RET | P07949 | 3/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14910607 | 0.96 | PDE4D (0.49) | PDE4DPDE4APDE4BPDE4CPIK3CA | |
| SCHEMBL14910606 | 0.96 | PDE4D (0.49) | PDE4DPDE4APDE4BPDE4CPIK3CA | |
| SCHEMBL1411657 | 0.96 | PDE4D (0.49) | PDE4DPDE4APDE4BPDE4CPIK3CA | |
| Bromide SCHEMBL1411322 | 0.95 | PDE4D (0.48) | PDE4DPDE4APDE4BPDE4CPIK3CA | |
| Hydrochloric Acid SCHEMBL1411662 | 0.95 | PDE4D (0.48) | PDE4DPDE4APDE4BPDE4CPIK3CA | |
| Oxalic Acid SCHEMBL1411080 | 0.93 | PDE4D (0.49) | PDE4DPDE4APDE4BPDE4CPIK3CA | |
| SCHEMBL1411440 | 0.92 | PDE4D (0.47) | PDE4DPDE4APDE4BPDE4CPIK3CA | |
| Fumaric Acid SCHEMBL1411479 | 0.91 | PDE4D (0.48) | PDE4DPDE4APDE4BPDE4CPIK3CA | |
| Fumaric Acid SCHEMBL1411483 | 0.91 | PDE4D (0.48) | PDE4DPDE4APDE4BPDE4CPIK3CA | |
| Cadaverine Tartrate SCHEMBL1410803 | 0.90 | PDE4D (0.49) | PDE4DPDE4APDE4BPDE4CPIK3CA |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080194587-A1 | phosphodiesterase inhibitor; drug for respiratory system disorders | NYCOMED GMBH (DE) | 2008-08-14 | — | — | US | claimed |
| US-8829189-B2 | Salts of 6-heterocycle substituted hexahydrophenanthridine derivatives | TAKEDA GMBH (DE) | 2014-09-09 | — | — | US | disclosed |
| US-8754218-B2 | Salts of 6-heterocycle substituted hexahydrophenanthridine derivatives | TAKEDA GMBH (DE) | 2014-06-17 | — | — | US | disclosed |
| US-20140039001-A1 | NOVEL SALTS OF 6-HETEROCYCLE SUBSTITUTED HEXAHYDROPHENANTHRIDINE DERIVATIVES | TAKEDA GMBH (DE) | 2014-02-06 | — | — | US | disclosed |
| EP-2295423-B1 | Novel salts of 6-heterocyclyl substituted hexahydrophenanthridine derivatives | TAKEDA GMBH (DE) | 2013-10-02 | — | — | EP | disclosed |
| EP-2189454-B1 | Novel salts of 6-heterocyclyl substituted hexahydrophenanthridine derivatives | TAKEDA GMBH (DE) | 2013-09-25 | — | — | EP | disclosed |
| US-20130096152-A1 | NOVEL SALTS OF 6-HETEROCYCLE SUBSTITUTED HEXAHYDROPHENANTHRIDINE DERIVATIVES | NYCOMED GMBH (DE) | 2013-04-18 | — | — | US | disclosed |
| US-8354535-B2 | Salts of 6-heterocycle substituted hexahydrophenanthridine derivatives | NYCOMED GMBH (DE) | 2013-01-15 | — | — | US | disclosed |
| EP-2295423-A1 | Novel salts of 6-heterocyclyl substituted hexahydrophenanthridine derivatives | Nycomed GmbH (DE) | 2011-03-16 | — | — | EP | disclosed |
| US-20100190818-A1 | Novel salts of 6-heterocycle substituted hexahydrophenanthridine derivatives | NYCOMED GMBH (DE) | 2010-07-29 | — | — | US | disclosed |
| EP-2189454-A1 | Novel salts of 6-heterocyclyl substituted hexahydrophenanthridine derivatives | Nycomed GmbH (DE) | 2010-05-26 | — | — | EP | disclosed |
| US-20080194587-A1 | phosphodiesterase inhibitor; drug for respiratory system disorders | NYCOMED GMBH (DE) | 2008-08-14 | — | — | US | disclosed |