Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Nitrous 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 | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 10/20 | 0.50 |
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.49 |
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.49 |
| ▸ | PRKACA | P17612 | 2/20 | 0.49 |
| ▸ | GSK3B | P49841 | 2/20 | 0.49 |
| ▸ | CDC7 | O00311 | 1/20 | 0.49 |
| ▸ | PLK4 | O00444 | 1/20 | 0.49 |
| ▸ | AURKA | O14965 | 1/20 | 0.49 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.49 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.49 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.49 |
| ▸ | PRKCG | P05129 | 1/20 | 0.49 |
| ▸ | LCK | P06239 | 1/20 | 0.49 |
| ▸ | PIM1 | P11309 | 1/20 | 0.49 |
| ▸ | CDK2 | P24941 | 1/20 | 0.49 |
| ▸ | MARK3 | P27448 | 1/20 | 0.49 |
| ▸ | AKT1 | P31749 | 1/20 | 0.49 |
| ▸ | AKT2 | P31751 | 1/20 | 0.49 |
| ▸ | FLT4 | P35916 | 1/20 | 0.49 |
| ▸ | FLT3 | P36888 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3999988 | 0.96 | ROCK1 (0.54) | ROCK1RPS6KB1RPS6KA5PRKACAGSK3B | |
| SCHEMBL4008087 | 0.84 | ROCK1 (0.39) | ROCK1RPS6KB1RPS6KA5PRKACAGSK3B | |
| SCHEMBL4133323 | 0.83 | ROCK1 (0.49) | ROCK1RPS6KB1RPS6KA5PRKACAGSK3B | |
| SCHEMBL3998363 | 0.82 | ROCK1 (0.58) | ROCK1RPS6KB1RPS6KA5PRKACAGSK3B | |
| SCHEMBL4000924 | 0.80 | ROCK1 (0.57) | ROCK1RPS6KB1RPS6KA5PRKACAGSK3B | |
| SCHEMBL3999581 | 0.79 | ROCK1 (0.65) | ROCK1RPS6KB1RPS6KA5PRKACAGSK3B | |
| SCHEMBL4008593 | 0.79 | POLB (0.41) | POLBALDH1A1MAPK1KMT2ALMNA | |
| SCHEMBL4003307 | 0.77 | ROCK1 (0.57) | ROCK1RPS6KB1RPS6KA5PRKACAGSK3B | |
| SCHEMBL4002575 | 0.76 | ROCK1 (0.58) | ROCK1RPS6KB1RPS6KA5PRKACAGSK3B | |
| SCHEMBL4007977 | 0.76 | ROCK1 (0.56) | ROCK1RPS6KB1RPS6KA5PRKACAGSK3B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1675552-A4 | PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS | GLAXO GROUP LTD (GB) | 2009-06-03 | — | — | EP | disclosed |
| EP-1675552-A2 | PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2006-07-05 | — | — | EP | disclosed |
| WO-2005037197-A2 | PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2005-04-28 | — | — | WO | disclosed |