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 | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 4/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | TMPRSS2 | O15393 | 1/20 | 0.43 |
| ▸ | KLK1 | P06870 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | NSD2 | O96028 | 1/20 | 0.43 |
| ▸ | HGFAC | Q04756 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11069867 | 0.80 | ALOX5 (0.61) | ALOX5CYP1A2NSD2KMT2ASMN1; SMN2 | |
| SCHEMBL9249718 | 0.78 | ALOX5 (0.54) | ALOX5CYP1A2CA12CA1CA2 | |
| SCHEMBL27935077 | 0.74 | ALOX5 (1.00) | ALOX5NSD2HGFACKMT2APKM | |
| Trinitrophenol SCHEMBL31588613 | 0.74 | CRHBP (0.57) | ALOX5CYP1A2CA1CA2KMT2A | |
| SCHEMBL27971368 | 0.74 | ALOX5 (0.77) | ALOX5HGFACCA12CA1CA2 | |
| SCHEMBL8660216 | 0.74 | PRSS1 (0.64) | TMPRSS2KLK1PRSS1KMT2APKM | |
| Trinitrophenol SCHEMBL2562632 | 0.74 | KEAP1 (0.54) | CYP1A2KMT2AMAPTALDH1A1CRHBP | |
| Trinitrophenol SCHEMBL28816541 | 0.74 | BCL9 (0.63) | ALOX5CYP1A2KMT2ASMN1; SMN2MAPT | |
| SCHEMBL28944513 | 0.73 | KMT2A (0.54) | KMT2AMAPTALDH1A1 | |
| SCHEMBL527544 | 0.73 | KMT2A (0.71) | ALOX5HGFACKMT2APKMSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103553966-B | The solid forms of SARM | GTX公司 | 2016-09-07 | — | — | CN | disclosed |