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 | |
|---|---|---|---|---|
| ▸ | GABRP known ✓ | O00591 | 10/20 | 0.39 |
| ▸ | GABRD known ✓ | O14764 | 10/20 | 0.39 |
| ▸ | GABRA1 known ✓ | P14867 | 10/20 | 0.39 |
| ▸ | GABRB1 known ✓ | P18505 | 10/20 | 0.39 |
| ▸ | GABRG2 known ✓ | P18507 | 10/20 | 0.39 |
| ▸ | GABRB3 known ✓ | P28472 | 10/20 | 0.39 |
| ▸ | GABRA5 known ✓ | P31644 | 10/20 | 0.39 |
| ▸ | GABRA3 known ✓ | P34903 | 10/20 | 0.39 |
| ▸ | GABRA2 known ✓ | P47869 | 10/20 | 0.39 |
| ▸ | GABRB2 known ✓ | P47870 | 10/20 | 0.39 |
| ▸ | GABRA4 known ✓ | P48169 | 10/20 | 0.39 |
| ▸ | GABRE known ✓ | P78334 | 10/20 | 0.39 |
| ▸ | GABRA6 known ✓ | Q16445 | 10/20 | 0.39 |
| ▸ | GABRG1 known ✓ | Q8N1C3 | 10/20 | 0.39 |
| ▸ | GABRG3 known ✓ | Q99928 | 10/20 | 0.39 |
| ▸ | GABRQ known ✓ | Q9UN88 | 10/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2138287 | 0.92 | GABRP (0.44) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL239495 | 0.75 | GABRB3 (0.60) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| Ammonia Solution, Strong SCHEMBL8425567 | 0.74 | GABRB3 (0.59) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL6976085 | 0.73 | KDR (0.51) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL2003583 | 0.72 | MAPT (0.44) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL7715600 | 0.71 | GABRP (0.53) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| Sulfurous Acid SCHEMBL28641882 | 0.71 | GABRA2 (0.57) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL1999935 | 0.71 | GABRP (0.34) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL1999933 | 0.71 | GABRP (0.34) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL30831882 | 0.71 | GABRA2 (0.45) | GABRPGABRDGABRA1GABRB1GABRG2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7960426-B2 | Substituted arylpyrazoles | PFIZER LIMITED (GB) | 2011-06-14 | — | — | US | disclosed |
| EP-1705989-B8 | SUBSTITUTED ARYLPYRAZOLES AS PARASITICIDAL AGENTS | PFIZER LTD (GB) | 2009-03-25 | — | — | EP | disclosed |
| EP-1901608-A1 | SUBSTITUTED ARYLPYRAZOLES AS PARASITICIDAL AGENTS | Pfizer Limited (GB) | 2008-03-26 | — | — | EP | disclosed |
| EP-1735284-A1 | N-(1-ARYLPYRAZOL-4L)SULFONAMIDES AND THEIR USE AS PARASITICIDES | Pfizer Limited (GB) | 2006-12-27 | — | — | EP | disclosed |
| WO-2006134466-A1 | SUBSTITUTED ARYLPYRAZOLES AS PARASITICIDAL AGENTS | PFIZER LIMITED (GB) | 2006-12-21 | — | — | WO | disclosed |
| EP-1705989-A1 | SUBSTITUTED ARYLPYRAZOLES AS PARASITICIDAL AGENTS | Pfizer Limited (GB) | 2006-10-04 | — | — | EP | disclosed |
| WO-2005090313-A1 | N-(1-ARYLPYRAZOL-4L)SULFONAMIDES AND THEIR USE AS PARASITICIDES | PFIZER LIMITED (GB) | 2005-09-29 | — | — | WO | disclosed |
| WO-2005060749-A1 | SUBSTITUTED ARYLPYRAZOLES AS PARASITICIDAL AGENTS | PFIZER LIMITED (GB) | 2005-07-07 | — | — | WO | disclosed |