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 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.73 |
| ▸ | HPGD | P15428 | 2/20 | 0.73 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.73 |
| ▸ | MEN1 | O00255 | 2/20 | 0.73 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.73 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.73 |
| ▸ | TTR | P02766 | 1/20 | 0.73 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.73 |
| ▸ | MAPT | P10636 | 1/20 | 0.73 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.73 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.73 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.73 |
| ▸ | RECQL | P46063 | 1/20 | 0.73 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.73 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.73 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.73 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.73 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
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 SCHEMBL1692116 | 0.98 | GPR35 (0.76) | GPR35ALDH1A1HPGDMAPK1MEN1 | |
| Trinitrophenol SCHEMBL9100678 | 0.98 | GPR35 (0.76) | GPR35ALDH1A1HPGDMAPK1MEN1 | |
| Trinitrophenol SCHEMBL1534170 | 0.95 | GPR35 (0.73) | GPR35ALDH1A1HPGDMAPK1MEN1 | |
| Trinitrophenol SCHEMBL9141462 | 0.95 | GPR35 (0.73) | GPR35ALDH1A1HPGDMAPK1MEN1 | |
| Trinitrophenol SCHEMBL9141134 | 0.95 | GPR35 (0.74) | GPR35ALDH1A1HPGDMAPK1MEN1 | |
| Trinitrophenol SCHEMBL9146204 | 0.95 | GPR35 (0.73) | GPR35ALDH1A1HPGDMAPK1MEN1 | |
| Trinitrophenol SCHEMBL9140060 | 0.95 | GPR35 (0.73) | GPR35ALDH1A1HPGDMAPK1MEN1 | |
| Trinitrophenol SCHEMBL9139824 | 0.95 | GPR35 (0.73) | GPR35ALDH1A1HPGDMAPK1MEN1 | |
| Trinitrophenol SCHEMBL9141395 | 0.95 | GPR35 (0.73) | GPR35ALDH1A1HPGDMAPK1MEN1 | |
| Trinitrophenol SCHEMBL8744 | 0.95 | GPR35 (0.79) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2376850-A1 | A SELF COOLING CONTAINER AND A COOLING DEVICE | Carlsberg Breweries A/S (DK) | 2011-10-19 | — | — | EP | disclosed |
| WO-2010066775-A1 | A SELF COOLING CONTAINER AND A COOLING DEVICE | CARLSBERG BREWERIES A/S (DK) | 2010-06-17 | — | — | WO | disclosed |