Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Trinitrophenol. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.55 |
| ▸ | GPR35 | Q9HC97 | 5/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | TTR | P02766 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Trinitrophenol SCHEMBL2218621 | 0.95 | ALDH1A1 (0.55) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| Trinitrophenol SCHEMBL11029128 | 0.95 | ALDH1A1 (0.55) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| Trinitrophenol SCHEMBL2197455 | 0.95 | ALDH1A1 (0.55) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| Trinitrophenol SCHEMBL7161635 | 0.95 | ALDH1A1 (0.55) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| Trinitrophenol SCHEMBL9140808 | 0.95 | ALDH1A1 (0.55) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| Trinitrophenol SCHEMBL1758505 | 0.95 | ALDH1A1 (0.55) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| Trinitrophenol SCHEMBL5908862 | 0.95 | ALDH1A1 (0.55) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| Trinitrophenol SCHEMBL653352 | 0.95 | ALDH1A1 (0.55) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| Trinitrophenol SCHEMBL7529522 | 0.95 | ALDH1A1 (0.55) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| Trinitrophenol SCHEMBL597737 | 0.95 | ALDH1A1 (0.55) | ALDH1A1GPR35TDP1HPGDMAPK1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8097164-B2 | Process for preparing magnetic particles for selectively removing contaminants from solution | ELECTRIC POWER RESEARCH INSTITUTE, INC. (US) | 2012-01-17 | — | — | US | disclosed |
| EP-2063433-B1 | Process for preparing magnetic particles for selectively removing contaminants from solution | ELECTRIC POWER RES INST (US) | 2010-06-09 | — | — | EP | disclosed |
| EP-2063433-A1 | Process for preparing magnetic particles for selectively removing contaminants from solution | Electric Power Research Institute, Inc. (US) | 2009-05-27 | — | — | EP | disclosed |
| US-20090120880-A1 | Process for Preparing Magnetic Particles for Selectively Removing Contaminants from Solution | ELECTRIC POWER RESEARCH INSTITUTE, INC. | 2009-05-14 | — | — | US | disclosed |
| US-6472079-B2 | PRODUCT OF HYDROLYSIS AND CONDENSATION OF AN ORGANOSILICON COMPOUND; 1A OR 2A COMPOUND, ESPECIALLY CARBOXYLIC SALT; SOLVENT; EXCELLENT CRACKING RESISTANCE AFTER A PCT (PRESSURE COOKER TEST). | JSR CORPORATION (JP) | 2002-10-29 | — | — | US | disclosed |
| US-6448400-B1 | Self-assembled ionophores | THE UNIVERSITY OF MARYLAND AT COLLEGE PARK | 2002-09-10 | — | — | US | disclosed |
| US-20020045693-A1 | Composition for film formation, method of film formation and silica-based film | JSR CORPORATION (JP) | 2002-04-18 | — | — | US | disclosed |
| EP-1148105-A2 | Composition for film formation, method of film formation, and silica-based film | JSR Corporation (JP) | 2001-10-24 | — | — | EP | disclosed |
| WO-1999007372-A1 | SELF-ASSEMBLED IONOPHORES | THE UNIVERSITY OF MARYLAND AT COLLEGE PARK (US) | 1999-02-18 | — | — | WO | disclosed |
| US-5607591-A | FROM EFFLUENTS OF IRRADIATED FUEL REPROCESSING PLANTS | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 1997-03-04 | — | — | US | disclosed |
| US-4343745-A | COMPLEXING WITH A TERIARY AMINE ETHER | RHONE-POULENC INDUSTRIES (FR) | 1982-08-10 | — | — | US | disclosed |
| US-4113649-A | Method for the solubilizing of alkali metal salts with polyethyleneglycoldiethers and the utilization thereof | STUDIENGESELLSCHAFT KOHLE MBH (DE) | 1978-09-12 | — | — | US | disclosed |