Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XIAP | P98170 | 1/20 | 0.51 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.51 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.49 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.49 |
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | S100A4 | P26447 | 1/20 | 0.30 |
| ▸ | PDE3B | Q13370 | 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 | |
|---|---|---|---|---|
| SCHEMBL8313992 | 1.00 | XIAP (0.51) | XIAPBIRC2BRPF1CREBBPGSK3B | |
| SCHEMBL21253074 | 0.81 | XIAP (0.50) | XIAPBIRC2BRPF1CREBBPGSK3B | |
| SCHEMBL21253073 | 0.81 | XIAP (0.50) | XIAPBIRC2BRPF1CREBBPGSK3B | |
| SCHEMBL9111698 | 0.73 | XIAP (0.55) | XIAPBIRC2BRPF1CREBBPGSK3B | |
| SCHEMBL17854806 | 0.73 | XIAP (0.55) | XIAPBIRC2BRPF1CREBBPGSK3B | |
| SCHEMBL14765037 | 0.72 | GSK3B (0.76) | XIAPBIRC2BRPF1CREBBPGSK3B | |
| SCHEMBL9111344 | 0.72 | XIAP (0.43) | XIAPBIRC2BRPF1CREBBPGSK3B | |
| SCHEMBL17813541 | 0.71 | PGR (0.36) | XIAPBIRC2BRPF1CREBBPGSK3B | |
| SCHEMBL21491491 | 0.70 | GSK3B (0.43) | XIAPBIRC2BRPF1CREBBPGSK3B | |
| SCHEMBL14952199 | 0.70 | GSK3B (0.43) | XIAPBIRC2BRPF1CREBBPGSK3B |
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 |
|---|---|---|---|---|---|---|---|
| US-5424311-A | A viricides for treating viral diseases; HIV enzyme inhibitor | HOESCHST AKTIENGESELLSCHAFT (DE) | 1995-06-13 | — | — | US | disclosed |