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 | 0.79 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.79 |
| ▸ | HPGD | P15428 | 2/20 | 0.79 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.79 |
| ▸ | MEN1 | O00255 | 2/20 | 0.79 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.79 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.79 |
| ▸ | TTR | P02766 | 1/20 | 0.79 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.79 |
| ▸ | MAPT | P10636 | 1/20 | 0.79 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.79 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.79 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.79 |
| ▸ | RECQL | P46063 | 1/20 | 0.79 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.79 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.79 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.79 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.79 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
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 SCHEMBL8744 | 1.00 | GPR35 (0.79) | GPR35ALDH1A1HPGDMAPK1MEN1 | |
| Trinitrophenol SCHEMBL18691159 | 0.98 | GPR35 (0.76) | GPR35ALDH1A1HPGDMAPK1MEN1 | |
| Trinitrophenol SCHEMBL1692116 | 0.98 | GPR35 (0.76) | GPR35ALDH1A1HPGDMAPK1MEN1 | |
| Trinitrophenol SCHEMBL9641273 | 0.98 | GPR35 (0.76) | GPR35ALDH1A1HPGDMAPK1MEN1 | |
| Trinitrophenol SCHEMBL2197458 | 0.98 | GPR35 (0.76) | GPR35ALDH1A1HPGDMAPK1MEN1 | |
| Trinitrophenol SCHEMBL1503376 | 0.98 | GPR35 (0.76) | GPR35ALDH1A1HPGDMAPK1MEN1 | |
| Trinitrophenol SCHEMBL2260890 | 0.98 | GPR35 (0.76) | GPR35ALDH1A1HPGDMAPK1MEN1 | |
| Trinitrophenol SCHEMBL9140811 | 0.98 | GPR35 (0.76) | GPR35ALDH1A1HPGDMAPK1MEN1 | |
| Trinitrophenol SCHEMBL2218625 | 0.98 | GPR35 (0.76) | GPR35ALDH1A1HPGDMAPK1MEN1 | |
| Trinitrophenol SCHEMBL11746249 | 0.98 | 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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113801067-B | Benzimidazole derivative and application thereof in detection of nitro aromatic explosives | 华南师范大学 | 2023-02-03 | — | — | CN | disclosed |
| CN-113801067-A | Benzimidazole derivative and application thereof in detection of nitro aromatic explosives | 华南师范大学 | 2021-12-17 | — | — | CN | disclosed |
| CN-107041947-A | Protective effect and application of FSTL1 in anti-fibrosis homeostatic regulation of tissues such as liver | 何玉龙 | 2017-08-15 | — | — | CN | disclosed |
| US-20120003749-A1 | NUCLEIC ACID MOLECULE CAPABLE OF BINDING TO 2,4,6-TRINITROPHENYL SKELETON, METHOD FOR DETECTING COMPOUND HAVING 2,4,6-TRINITROPHENYL SKELETON USING THE NUCLEIC ACID MOLECULE, AND USE OF THE NUCLEIC ACID MOLECULE | NEC SOFT, LTD. (JP) | 2012-01-05 | — | — | US | disclosed |
| EP-1577282-B1 | Metal complexes for use in olefin metathesis and atom or group transfer reactions | TELENE SAS (FR) | 2011-06-15 | — | — | EP | disclosed |
| EP-2298881-A1 | NUCLEIC ACID MOLECULE HAVING THE CAPACITY TO BOND WITH A 2,4,6-TRINITROPHENYL STRUCTURE, METHOD FOR DETECTING COMPOUNDS INCLUDING A 2,4,6-TRINITROPHENYL STRUCTURE USING SAID NUCLEIC ACID MOLECULE, AND USE OF SAID NUCLEIC ACID MOLECULE | NEC Soft, Ltd. (JP) | 2011-03-23 | — | — | EP | disclosed |
| US-7419636-B2 | Vapor sensing instruments for ultra trace chemical detection | NOMADICS, INC. (US) | 2008-09-02 | — | — | US | disclosed |
| WO-2007038524-A2 | COCRYSTALLIZATION METHODS | SSCI, INC. (US) | 2007-04-05 | — | — | WO | disclosed |
| US-20030165407-A1 | Vapor sensing instrument for ultra trace chemical detection | TELEDYNE FLIR DETECTION, INC. | 2003-09-04 | — | — | US | disclosed |
| US-5210216-A | Compounds for sequestering metals such as lead or silver | LOCTITE (IRELAND) LIMITED (IE) | 1993-05-11 | — | — | US | disclosed |
| US-5131957-A | Improving physical properties of metals by treatment with shock waves | BATTELLE MEMORIAL INSTITUTE (US) | 1992-07-21 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120003749-A1 | NUCLEIC ACID MOLECULE CAPABLE OF BINDING TO 2,4,6-TRINITROPHENYL SKELETON, METHOD FOR DETECTING COMPOUND HAVING 2,4,6-TRINITROPHENYL SKELETON USING THE NUCLEIC ACID MOLECULE, AND USE OF THE NUCLEIC ACID MOLECULE | NSUN2, TENT4A, DNTT | GPR35 3566/4885ALDH1A1 3909/4885HPGD 4067/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.