Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 15/20 | 0.49 |
| ▸ | KDR | P35968 | 3/20 | 0.48 |
| ▸ | CDK2 | P24941 | 2/20 | 0.46 |
| ▸ | CDK1 | P06493 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 2/20 | 0.38 |
| ▸ | AKT2 | P31751 | 2/20 | 0.38 |
| ▸ | MARK2 | Q7KZI7 | 2/20 | 0.38 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.38 |
| ▸ | MARK3 | P27448 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.38 |
| ▸ | PLK1 | P53350 | 1/20 | 0.38 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.38 |
| ▸ | STK3 | Q13188 | 1/20 | 0.38 |
| ▸ | MELK | Q14680 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7094187 | 0.87 | CHEK1 (0.53) | CHEK1KDRCDK2CDK1NPC1 | |
| SCHEMBL7003316 | 0.85 | CHEK1 (0.61) | CHEK1KDRCDK2CDK1NPC1 | |
| Hydrochloric Acid SCHEMBL7095328 | 0.84 | CHEK1 (0.60) | CHEK1KDRCDK2CDK1NPC1 | |
| SCHEMBL7696882 | 0.84 | CHEK1 (0.51) | CHEK1KDRCDK2CDK1NPC1 | |
| SCHEMBL7184665 | 0.82 | CHEK1 (0.51) | CHEK1KDRCDK2CDK1NPC1 | |
| SCHEMBL7832418 | 0.82 | CHEK1 (0.51) | CHEK1KDRCDK2CDK1NPC1 | |
| SCHEMBL7704050 | 0.81 | CHEK1 (0.52) | CHEK1KDRCDK2CDK1NPC1 | |
| SCHEMBL7094461 | 0.80 | CHEK1 (0.56) | CHEK1KDRCDK2CDK1NPC1 | |
| SCHEMBL6997411 | 0.80 | KDR (0.57) | CHEK1KDRCDK2CDK1NPC1 | |
| SCHEMBL7093639 | 0.80 | CHEK1 (0.52) | CHEK1KDRCDK2CDK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1129076-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES AS LHRH ANTAGONISTS | ABBOTT LABORATORIES (US) | 2001-09-05 | — | — | EP | disclosed |
| WO-2000029380-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES AS LHRH ANTAGONISTS | ABBOTT LABORATORIES (US) | 2000-05-25 | — | — | WO | disclosed |