Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | VNN1 | O95497 | 2/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MC4R | P32245 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | MC3R | P41968 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 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 | |
|---|---|---|---|---|
| SCHEMBL11920667 | 0.87 | VNN1 (0.32) | VNN1 | |
| SCHEMBL4121266 | 0.72 | GRIN1 (0.42) | KDM4ENAPRT | |
| SCHEMBL28127324 | 0.68 | HSP90AA1 (0.36) | KDM4ENAPRTHCAR2HSP90AA1VNN1 | |
| SCHEMBL19399263 | 0.68 | HSP90AA1 (0.36) | KDM4ENAPRTHCAR2HSP90AA1VNN1 | |
| SCHEMBL2143043 | 0.68 | HSP90AA1 (0.41) | KDM4ENAPRTHCAR2HSP90AA1VNN1 | |
| SCHEMBL28042507 | 0.68 | HSP90AA1 (0.36) | KDM4ENAPRTHCAR2HSP90AA1VNN1 | |
| SCHEMBL2143498 | 0.67 | KDM4E (0.44) | KDM4ENAPRTHCAR2VNN1ADORA3 | |
| SCHEMBL15322765 | 0.66 | TRIM24 (0.30) | — | |
| SCHEMBL24608783 | 0.65 | GRIN1 (0.44) | KDM4E | |
| SCHEMBL15321577 | 0.65 | ADORA3 (0.46) | KDM4ENAPRTHCAR2HSP90AA1VNN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109641895-B | Indole compounds substituted with [1, 2, 4] triazolo [1, 5-a ] pyridyl | 百时美施贵宝公司 | 2021-09-03 | — | — | CN | disclosed |