Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.33 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL24327019 | 0.74 | ALDH1A1 (0.33) | HCRTR2RPS6KA5RPS6KA4ROCK1 | |
| SCHEMBL24327450 | 0.70 | ABL1 (0.31) | RPS6KA5RPS6KA4 | |
| SCHEMBL24328339 | 0.65 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL30919884 | 0.64 | SMN1; SMN2 (0.41) | HCRTR2RPS6KA5RPS6KA4HPGDTSHR | |
| SCHEMBL29651278 | 0.63 | RPS6KA5 (0.37) | HCRTR2RPS6KA5RPS6KA4ROCK1 | |
| SCHEMBL28744003 | 0.63 | RPS6KA5 (0.37) | HCRTR2RPS6KA5RPS6KA4ROCK1 | |
| SCHEMBL29650996 | 0.62 | HCRTR2 (0.40) | HCRTR2RPS6KA5RPS6KA4ROCK1 | |
| SCHEMBL28743609 | 0.62 | HCRTR2 (0.40) | HCRTR2RPS6KA5RPS6KA4ROCK1 | |
| SCHEMBL24328334 | 0.62 | CDK7 (0.42) | — | |
| SCHEMBL31378032 | 0.61 | HCRTR2 (0.39) | HCRTR2RPS6KA5RPS6KA4ROCK1HPGD |
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-2022063106-A1 | INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS | BEIGENE, LTD. (KY) | 2022-03-31 | — | — | WO | disclosed |