Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Trolnitrate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Trolnitrate SCHEMBL22829339 | 0.98 | ALDH1A1 (0.32) | ALDH1A1 | |
| Trolnitrate SCHEMBL6390411 | 0.98 | ALDH1A1 (0.34) | ALDH1A1 | |
| Trolnitrate SCHEMBL286264 | 0.98 | ALDH1A1 (0.34) | ALDH1A1 | |
| Trolnitrate SCHEMBL10597128 | 0.96 | ALDH1A1 (0.33) | ALDH1A1 | |
| Trolnitrate SCHEMBL22588490 | 0.96 | ALDH1A1 (0.33) | ALDH1A1 | |
| Trolnitrate SCHEMBL9249444 | 0.96 | ALDH1A1 (0.33) | ALDH1A1 | |
| Trolnitrate SCHEMBL22397745 | 0.96 | ALDH1A1 (0.33) | ALDH1A1 | |
| Trolnitrate SCHEMBL11423298 | 0.96 | ALDH1A1 (0.33) | ALDH1A1 | |
| Trolnitrate SCHEMBL17311175 | 0.96 | ALDH1A1 (0.33) | ALDH1A1 | |
| Trolnitrate SCHEMBL10606948 | 0.96 | ALDH1A1 (0.33) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1992618-B1 | POLYCYCLIC CINNAMIDE DERIVATIVE | EISAI R&D MAN CO LTD (JP) | 2012-01-18 | — | — | EP | disclosed |