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 | 0.53 |
| ▸ | GPR35 | Q9HC97 | 5/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | TTR | P02766 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.48 |
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 SCHEMBL1758505 | 0.98 | ALDH1A1 (0.55) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| Trinitrophenol SCHEMBL27726489 | 0.95 | ALDH1A1 (0.53) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| Trinitrophenol SCHEMBL9640075 | 0.95 | ALDH1A1 (0.53) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| Trinitrophenol SCHEMBL11287140 | 0.95 | ALDH1A1 (0.53) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| Trinitrophenol SCHEMBL9837657 | 0.93 | ALDH1A1 (0.52) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| Trinitrophenol SCHEMBL48278 | 0.93 | ALDH1A1 (0.55) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| Trinitrophenol SCHEMBL2197455 | 0.93 | ALDH1A1 (0.55) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| Trinitrophenol SCHEMBL7161635 | 0.93 | ALDH1A1 (0.55) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| Trinitrophenol SCHEMBL597737 | 0.93 | ALDH1A1 (0.55) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| Trinitrophenol SCHEMBL1132384 | 0.93 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000029337-A1 | A SYSTEM AND A METHOD FOR REMOVING IONS FROM AQUEOUS LIQUID STREAMS | PRIVA HORTIMATION B.V. (NL) | 2000-05-25 | — | — | WO | disclosed |