Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19986440 | 0.81 | TDP1 (0.50) | TDP1CYP1A2CYP2D6APEX1PMP22 | |
| SCHEMBL12703373 | 0.75 | TDP1 (0.44) | TDP1CYP1A2CYP2D6APEX1PMP22 | |
| SCHEMBL13995874 | 0.75 | TDP1 (0.44) | TDP1CYP1A2CYP2D6APEX1PMP22 | |
| SCHEMBL13995936 | 0.75 | TDP1 (0.44) | TDP1CYP1A2CYP2D6APEX1PMP22 | |
| SCHEMBL22826942 | 0.74 | — | — | |
| SCHEMBL25057611 | 0.73 | TAAR1 (0.32) | — | |
| SCHEMBL19953805 | 0.73 | TAAR1 (0.32) | — | |
| SCHEMBL1291692 | 0.71 | TDP1 (0.39) | TDP1CYP1A2CYP2D6APEX1PMP22 | |
| SCHEMBL21909918 | 0.71 | ALDH1A1 (0.45) | TDP1CYP1A2CYP2D6APEX1PMP22 | |
| SCHEMBL4857261 | 0.69 | ALDH1A1 (0.36) | TDP1 |
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-2917218-B1 | MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS | ENSEMBLE THERAPEUTICS CORP (US) | 2017-01-04 | — | — | EP | disclosed |