Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Nitrous Acid SCHEMBL5835143 | 1.00 | CA1 (0.50) | CA1CA2MEN1KMT2ACA5A | |
| Nitrous Acid SCHEMBL11358574 | 0.96 | — | — | |
| Nitrous Acid SCHEMBL27773421 | 0.92 | CA1 (0.50) | CA1CA2MEN1KMT2ACA5A | |
| Nitrous Acid SCHEMBL6308874 | 0.92 | CA1 (0.50) | CA1CA2MEN1KMT2ACA5A | |
| Nitrous Acid SCHEMBL7904068 | 0.92 | — | — | |
| Nitrous Acid SCHEMBL16814067 | 0.92 | — | — | |
| Nitrous Acid SCHEMBL2184394 | 0.92 | — | — | |
| Nitrous Acid SCHEMBL30311491 | 0.92 | CA1 (0.50) | CA1CA2MEN1KMT2ACA5A | |
| Nitrous Acid SCHEMBL8902788 | 0.92 | — | — | |
| Nitrous Acid SCHEMBL8110271 | 0.88 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4134773-A | BISALUMINUM PENTAHYDROXYCHLORIDE, GYPSUM, LIMES, NITRITES | CENTRALNA LABORATORIA PO PHYSIKO-CHIMICHESKA MECHANIKA PRI BAN (BG) | 1979-01-16 | — | — | US | disclosed |