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 | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 11/20 | 0.76 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.76 |
| ▸ | HPGD | P15428 | 2/20 | 0.76 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.76 |
| ▸ | MEN1 | O00255 | 2/20 | 0.76 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.76 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.76 |
| ▸ | TTR | P02766 | 1/20 | 0.76 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.76 |
| ▸ | MAPT | P10636 | 1/20 | 0.76 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.76 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.76 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.76 |
| ▸ | RECQL | P46063 | 1/20 | 0.76 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.76 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.76 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.76 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.76 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
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 SCHEMBL253750 | 0.98 | GPR35 (0.79) | GPR35ALDH1A1HPGDMAPK1MEN1 | |
| Trinitrophenol SCHEMBL8744 | 0.98 | GPR35 (0.79) | GPR35ALDH1A1HPGDMAPK1MEN1 | |
| Trinitrophenol SCHEMBL5908860 | 0.95 | GPR35 (0.76) | GPR35ALDH1A1HPGDMAPK1MEN1 | |
| Trinitrophenol SCHEMBL7514072 | 0.95 | GPR35 (0.76) | GPR35ALDH1A1HPGDMAPK1MEN1 | |
| Trinitrophenol SCHEMBL10361561 | 0.95 | GPR35 (0.76) | GPR35ALDH1A1HPGDMAPK1MEN1 | |
| Trinitrophenol SCHEMBL7161632 | 0.95 | GPR35 (0.76) | GPR35ALDH1A1HPGDMAPK1MEN1 | |
| Trinitrophenol SCHEMBL2260895 | 0.95 | GPR35 (0.76) | GPR35ALDH1A1HPGDMAPK1MEN1 | |
| Trinitrophenol SCHEMBL7529527 | 0.95 | GPR35 (0.76) | GPR35ALDH1A1HPGDMAPK1MEN1 | |
| Trinitrophenol SCHEMBL11029133 | 0.95 | GPR35 (0.76) | GPR35ALDH1A1HPGDMAPK1MEN1 | |
| Trinitrophenol SCHEMBL223710 | 0.95 | GPR35 (0.76) | GPR35ALDH1A1HPGDMAPK1MEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-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 |
| 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 |