Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 9/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | TUBB1 | Q9H4B7 | 3/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.48 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.46 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.46 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.45 |
| ▸ | TUBB | P07437 | 2/20 | 0.45 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.45 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.45 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.45 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.45 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.45 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.45 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.45 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.45 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7608939 | 0.82 | ERN1 (0.58) | ERN1ALDH1A1CYP1A2TRIM24TYR | |
| SCHEMBL11804252 | 0.81 | ERN1 (0.57) | ERN1ALDH1A1TUBB1TUBB4ATUBB | |
| SCHEMBL28517488 | 0.79 | ERN1 (0.54) | ERN1ALDH1A1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL23191292 | 0.78 | GSTP1 (0.62) | ERN1ALDH1A1CYP1A2TRIM24TYR | |
| SCHEMBL1983140 | 0.76 | HDAC3 (0.52) | ERN1ALDH1A1CYP1A2TRIM24TYR | |
| SCHEMBL5515488 | 0.76 | ERN1 (0.51) | ERN1ALDH1A1TRIM24TYRTRIM33 | |
| SCHEMBL14840763 | 0.76 | ERN1 (0.51) | ERN1ALDH1A1CYP1A1CYP1B1TRIM24 | |
| SCHEMBL14642539 | 0.76 | ERN1 (0.51) | ERN1ALDH1A1CYP1A2TRIM24TYR | |
| SCHEMBL172939 | 0.76 | ALDH1A1 (0.71) | ERN1ALDH1A1TUBB1CYP1A1CYP1A2 | |
| SCHEMBL29392394 | 0.76 | ALDH1A1 (0.71) | ERN1ALDH1A1TUBB1CYP1A1CYP1A2 |
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-2952501-A2 | Anti-cancer dibenzocycloheptane derivatives and a catalytic method for dibenzocycloheptane synthesis and allocolchicinoid synthesis | University of Windsor (CA) | 2015-12-09 | — | — | EP | disclosed |