Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Nitroacetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.45 |
| ▸ | CA4 | P22748 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | HBB | P68871 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Nitroacetic Acid SCHEMBL7532507 | 0.97 | CA1 (0.47) | CA1CA4TSHRFFAR3HDAC3 | |
| Nitroacetic Acid SCHEMBL11355336 | 0.92 | CA1 (0.42) | CA1CA4TSHRFFAR3HDAC3 | |
| Nitroacetic Acid SCHEMBL6546218 | 0.89 | — | — | |
| Nitroacetic Acid SCHEMBL19995634 | 0.89 | CA4 (0.42) | CA1CA4TSHRFFAR3HDAC3 | |
| Nitroacetic Acid SCHEMBL5933850 | 0.84 | MEN1 (0.38) | CA4TSHRFFAR3HDAC3HDAC1 | |
| Nitroacetic Acid SCHEMBL13859133 | 0.84 | MEN1 (0.38) | CA4TSHRFFAR3HDAC3HDAC1 | |
| Nitroacetic Acid SCHEMBL5933854 | 0.84 | — | — | |
| Nitroacetic Acid SCHEMBL11626509 | 0.84 | MEN1 (0.38) | CA4TSHRFFAR3HDAC3HDAC1 | |
| Nitroacetic Acid SCHEMBL11879474 | 0.84 | — | — | |
| Nitroacetic Acid SCHEMBL11577983 | 0.84 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9085062-B2 | Stabilisation of stored gas | LUXFER GROUP LIMITED (GB) | 2015-07-21 | — | — | US | disclosed |
| EP-1541700-B1 | METHOD OF GRANULATING SINTERING MATERIAL FOR IRON MANUFACTURING | NIPPON STEEL CORP (JP) | 2012-02-29 | — | — | EP | disclosed |
| US-20110017614-A1 | STABILISATION OF STORED GAS | LUXFER GROUP LIMITED (UK) | 2011-01-27 | — | — | US | disclosed |
| EP-2195141-A1 | STABILISATION OF STORED GAS | Luxfer Group Limited (GB) | 2010-06-16 | — | — | EP | disclosed |
| WO-2009034336-A1 | STABILISATION OF STORED GAS | LUXFER GROUP LIMITED (GB) | 2009-03-19 | — | — | WO | disclosed |
| EP-1541700-A1 | METHOD OF GRANULATING SINTERING MATERIAL FOR IRON MANUFACTURING | NIPPON STEEL CORPORATION (JP) | 2005-06-15 | — | — | EP | disclosed |