Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 4/20 | 0.36 |
| ▸ | CTSD | P07339 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | MYC | P01106 | 1/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL5944362 | 0.83 | ALDH1A1 (0.44) | TRPA1ALDH1A1MYCMEN1KMT2A | |
| SCHEMBL5944439 | 0.77 | CTSD (0.37) | CTSDCA1CA2CA9ALDH1A1 | |
| Urea SCHEMBL8887503 | 0.72 | TRPA1 (0.40) | TRPA1KEAP1 | |
| SCHEMBL9268163 | 0.70 | TRPA1 (0.38) | TRPA1 | |
| SCHEMBL11830486 | 0.69 | TRPA1 (0.35) | TRPA1 | |
| SCHEMBL4779761 | 0.67 | CTSD (0.57) | CTSDCA1CA2CA9ALDH1A1 | |
| SCHEMBL541086 | 0.66 | HNF4A (0.51) | CTSDCA1CA2CA9ALDH1A1 | |
| SCHEMBL6689338 | 0.66 | ALDH1A1 (0.64) | ALDH1A1KEAP1HTTMEN1KMT2A | |
| SCHEMBL239328 | 0.65 | CTSD (0.63) | CTSDCA1CA2CA9ALDH1A1 | |
| SCHEMBL30547074 | 0.65 | CTSD (0.63) | CTSDCA1CA2CA9ALDH1A1 |
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-0696283-B1 | 2-, 3-, 4-, 5-, 6-, 7-, 8-, 9- AND/OR 10-SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE | SEARLE & CO (US) | 1997-09-17 | — | — | EP | disclosed |