Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MPO | P05164 | 1/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9535888 | 0.86 | ALDH1A1 (0.51) | ALDH1A1CYP2D6ATMNPC1RAB9A | |
| SCHEMBL23045757 | 0.84 | ALDH1A1 (0.58) | ALDH1A1CYP2D6ATMNPC1RAB9A | |
| Ammonia Solution, Strong SCHEMBL25279198 | 0.83 | ALDH1A1 (0.56) | ALDH1A1CYP2D6ATMNPC1RAB9A | |
| Ammonia Solution, Strong SCHEMBL28361999 | 0.81 | PDE3B (0.52) | ALDH1A1CYP2D6ATMNPC1RAB9A | |
| SCHEMBL9391619 | 0.79 | NPC1 (0.61) | ALDH1A1CYP2D6ATMNPC1RAB9A | |
| SCHEMBL31279567 | 0.79 | MPO (0.47) | ALDH1A1CYP2D6ATMNPC1RAB9A | |
| SCHEMBL29937376 | 0.77 | ALDH1A1 (0.56) | ALDH1A1CYP2D6ATMPOLBLMNA | |
| Ammonia Solution, Strong SCHEMBL2450875 | 0.77 | ALDH1A1 (0.53) | ALDH1A1CYP2D6ATMNPC1RAB9A | |
| SCHEMBL3551608 | 0.77 | NPC1 (0.67) | ALDH1A1CYP2D6ATMNPC1RAB9A | |
| SCHEMBL28522308 | 0.76 | ALDH1A1 (0.51) | ALDH1A1CYP2D6ATMNPC1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117024411-A | Isoquinoline as HPK1 inhibitor | 豪夫迈·罗氏有限公司 | 2023-11-10 | — | — | CN | disclosed |
| CN-110709392-B | Isoquinoline as HPK1 inhibitor | 豪夫迈·罗氏有限公司 | 2023-09-29 | — | — | CN | disclosed |
| CN-110709392-A | Isoquinoline as HPK1 inhibitors | 豪夫迈·罗氏有限公司 | 2020-01-17 | — | — | CN | disclosed |