Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XIAP | P98170 | 19/20 | 0.59 |
| ▸ | BIRC2 | Q13490 | 8/20 | 0.59 |
| ▸ | BIRC3 | Q13489 | 12/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL12900708 | 0.89 | XIAP (0.76) | XIAPBIRC2BIRC3 | |
| Hydrochloric Acid SCHEMBL1273670 | 0.88 | XIAP (0.76) | XIAPBIRC2BIRC3 | |
| SCHEMBL12874896 | 0.83 | XIAP (0.57) | XIAPBIRC2BIRC3 | |
| SCHEMBL24619576 | 0.76 | BIRC2 (0.64) | XIAPBIRC2BIRC3 | |
| SCHEMBL24619574 | 0.76 | BIRC2 (0.64) | XIAPBIRC2BIRC3 | |
| SCHEMBL12900702 | 0.76 | XIAP (0.81) | XIAPBIRC2BIRC3 | |
| SCHEMBL1164549 | 0.76 | XIAP (0.83) | XIAPBIRC2BIRC3 | |
| SCHEMBL12874934 | 0.76 | XIAP (0.83) | XIAPBIRC2BIRC3 | |
| SCHEMBL24620016 | 0.76 | BIRC2 (0.63) | XIAPBIRC2BIRC3 | |
| SCHEMBL24620015 | 0.76 | BIRC2 (0.63) | XIAPBIRC2BIRC3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011016576-A1 | ALANINE DERIVATIVES AS INHIBITORS OF APOPTOSIS PROTEINS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-02-10 | — | — | WO | disclosed |