Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | SPR | P35270 | 1/20 | 0.31 |
| ▸ | PIK3C3 | Q8NEB9 | 2/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | GCK | P35557 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL20517639 | 1.00 | ALDH1A1 (0.36) | ALDH1A1NPC1RAB9AKMT2AHPGD | |
| SCHEMBL30326005 | 0.79 | RAB9A (0.38) | ALDH1A1NPC1RAB9AKMT2AHPGD | |
| SCHEMBL31366256 | 0.79 | KMT2A (0.38) | ALDH1A1NPC1RAB9AKMT2AHPGD | |
| SCHEMBL2038871 | 0.79 | KMT2A (0.38) | ALDH1A1NPC1RAB9AKMT2AHPGD | |
| SCHEMBL22256745 | 0.78 | NPC1 (0.40) | ALDH1A1NPC1RAB9AKMT2APOLB | |
| SCHEMBL22678970 | 0.76 | ALDH1A1 (0.34) | ALDH1A1RAB9AKMT2AHPGDMAP4K1 | |
| SCHEMBL18420384 | 0.75 | CYP4F2 (0.39) | ALDH1A1NPC1RAB9AKMT2AHPGD | |
| SCHEMBL30600870 | 0.75 | NPC1 (0.41) | ALDH1A1NPC1RAB9AKMT2AHPGD | |
| SCHEMBL20517447 | 0.75 | NPC1 (0.41) | ALDH1A1NPC1RAB9AKMT2AHPGD | |
| SCHEMBL30326198 | 0.75 | CYP4F2 (0.39) | ALDH1A1NPC1RAB9AKMT2AHPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117024411-B | Isoquinoline as HPK1 inhibitor | 豪夫迈·罗氏有限公司 | 2026-05-19 | — | — | CN | disclosed |
| CN-110709392-B | Isoquinoline as HPK1 inhibitor | 豪夫迈·罗氏有限公司 | 2023-09-29 | — | — | CN | disclosed |