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 | |
|---|---|---|---|---|
| ▸ | SNCA | P37840 | 6/20 | 0.65 |
| ▸ | GPR35 | Q9HC97 | 5/20 | 0.49 |
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | TTR | P02766 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | NOX1 | Q9Y5S8 | 5/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8725829 | 0.83 | SNCA (0.65) | SNCAMAPTMEN1ALOX15KMT2A | |
| Phenothiazine SCHEMBL27788701 | 0.81 | SNCA (0.81) | SNCAMAPTMEN1ALOX15KMT2A | |
| SCHEMBL30769632 | 0.79 | SNCA (1.00) | SNCAMAPTMEN1ALOX15KMT2A | |
| SCHEMBL8941280 | 0.79 | SNCA (0.82) | SNCAMAPTMEN1ALOX15KMT2A | |
| SCHEMBL239724 | 0.79 | SNCA (1.00) | SNCAMAPTMEN1ALOX15KMT2A | |
| Trinitrophenol SCHEMBL28287535 | 0.76 | GPR35 (0.63) | GPR35MAPTMEN1ALOX15KMT2A | |
| Trinitrophenol SCHEMBL31588669 | 0.76 | GPR35 (0.73) | GPR35MAPTMEN1ALOX15KMT2A | |
| Trinitrophenol SCHEMBL253750 | 0.76 | GPR35 (0.79) | GPR35MAPTMEN1ALOX15KMT2A | |
| Trinitrophenol SCHEMBL8744 | 0.76 | GPR35 (0.79) | GPR35MAPTMEN1ALOX15KMT2A | |
| Trinitrophenol SCHEMBL27538937 | 0.75 | CRHBP (0.62) | GPR35MAPTMEN1ALOX15KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000077108-A1 | ANAEROBIC ADHESIVE COMPOSITION | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2000-12-21 | — | — | WO | claimed |
| WO-2000077108-A1 | ANAEROBIC ADHESIVE COMPOSITION | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2000-12-21 | — | — | WO | disclosed |
| US-4096201-A | BUTADIENE-ACRYLONITRILE COPOLYMER, HYDROXYALKYL METHACRYLATE, ALKYL METHACRYLATE, ORGANIC HYDROPEROXIDE | DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JA) | 1978-06-20 | — | — | US | disclosed |