Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Nitrophenolate. 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 | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | PLAU | P00749 | 1/20 | 0.44 |
| ▸ | PTPRC | P08575 | 1/20 | 0.44 |
| ▸ | S100A4 | P26447 | 1/20 | 0.44 |
| ▸ | ERN1 | O75460 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Nitrophenolate SCHEMBL10496079 | 0.95 | HSD17B10 (0.54) | HSD17B10TDP1ALDH1A1KMT2AMEN1 | |
| Nitrophenolate SCHEMBL235204 | 0.95 | HSD17B10 (0.54) | HSD17B10TDP1ALDH1A1KMT2AMEN1 | |
| Nitrophenolate SCHEMBL3892329 | 0.95 | HSD17B10 (0.54) | HSD17B10TDP1ALDH1A1KMT2AMEN1 | |
| Nitrophenolate SCHEMBL27998915 | 0.95 | HSD17B10 (0.54) | HSD17B10TDP1ALDH1A1KMT2AMEN1 | |
| Nitrophenolate SCHEMBL28930677 | 0.95 | HSD17B10 (0.54) | HSD17B10TDP1ALDH1A1KMT2AMEN1 | |
| Nitrophenolate SCHEMBL29757972 | 0.95 | HSD17B10 (0.54) | HSD17B10TDP1ALDH1A1KMT2AMEN1 | |
| Nitrophenolate SCHEMBL28179749 | 0.93 | HSD17B10 (0.52) | HSD17B10TDP1ALDH1A1KMT2AMEN1 | |
| Nitrophenolate SCHEMBL28214763 | 0.85 | ALDH1A1 (0.47) | HSD17B10TDP1ALDH1A1KMT2AMEN1 | |
| Nitrophenolate SCHEMBL17275508 | 0.83 | GPR35 (0.50) | HSD17B10TDP1ALDH1A1KMT2AMEN1 | |
| Nitrophenolate SCHEMBL30910022 | 0.83 | GPR35 (0.53) | HSD17B10TDP1ALDH1A1KMT2AMEN1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7572303-B2 | A symmetrical dialkyl carbonate, a metal, borong, silicon, or group 7 compound, a hydrogen or hydrocarbon-based fuel, an oxidizer, and a metallic cocatalyst; minimized hydrolysis; improved combustion and storage stability | OCTANE INTERNATIONAL, LTD. (US) | 2009-08-11 | — | — | US | disclosed |
| EP-0954558-B1 | FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY | ORR WILLIAM C (US) | 2006-06-14 | — | — | EP | disclosed |
| WO-2005087901-A2 | FUEL ADDITIVE COMPOSITION HAVING ANTIKNOCK PROPERTIES | INNOSPEC LIMITED (GB) | 2005-09-22 | — | — | WO | disclosed |
| US-20040237384-A1 | Fuel compositions exhibiting improved fuel stability | OCTANE INTERNATIONAL, LTD. | 2004-12-02 | — | — | US | disclosed |
| US-6652608-B1 | Fuel compositions exhibiting improved fuel stability | OCTANE INTERNATIONAL, LTD. | 2003-11-25 | — | — | US | disclosed |
| EP-1051461-A2 | FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE | ORR, William C. (US) | 2000-11-15 | — | — | EP | disclosed |
| WO-1999066009-A2 | FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE | ORR WILLIAM C (US) | 1999-12-23 | — | — | WO | disclosed |
| EP-0954558-A1 | FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY | ORR, William C. (US) | 1999-11-10 | — | — | EP | disclosed |
| WO-1998026028-A1 | FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY | ORR WILLIAM C (US) | 1998-06-18 | — | — | WO | disclosed |