Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 2/20 | 0.38 |
| ▸ | LDHB | P07195 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | GLRA3 | O75311 | 1/20 | 0.37 |
| ▸ | GLRB | P48167 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | KDM6A | O15550 | 1/20 | 0.33 |
| ▸ | KDM4A | O75164 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KDM5C | P41229 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12417617 | 0.80 | BRD4 (0.44) | BRD4MAPTTP53ALDH1A1KDM4E | |
| SCHEMBL1400343 | 0.78 | ALDH1A1 (0.56) | CYP3A4MAPTALDH1A1KDM4EHPGD | |
| SCHEMBL27679430 | 0.73 | BRD4 (0.40) | BRD4NOTUMALDH1A1KDM4EHPGD | |
| SCHEMBL2976076 | 0.73 | TP53 (0.39) | BRD4MAPTTP53ALDH1A1KDM4E | |
| SCHEMBL3450311 | 0.73 | GPR35 (0.37) | LDHALDHBBRD4BRD9NOTUM | |
| SCHEMBL27302249 | 0.72 | KDM4E (0.39) | CYP3A4ACHEBRD4MAPTBRD9 | |
| SCHEMBL9959156 | 0.71 | TP53 (0.40) | LDHALDHBCYP3A4ACHEGLRA3 | |
| SCHEMBL11406298 | 0.71 | NOTUM (0.35) | LDHALDHBCYP3A4ACHENOTUM | |
| SCHEMBL22729865 | 0.70 | ATM (0.37) | LDHALDHBBRD4BRD9NOTUM | |
| SCHEMBL5553127 | 0.69 | TP53 (0.39) | LDHALDHBCYP3A4ACHEGLRA3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025045145-A1 | WRN HELICASE-INHIBITING BIS-HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF | 广州科恩泰生物医药科技有限公司 | 2025-03-06 | — | — | WO | disclosed |
| CN-119528909-A | Bisheterocyclic derivative for inhibiting WRN helicase, pharmaceutical composition containing bisheterocyclic derivative and application of bisheterocyclic derivative | 上海科恩泰生物医药科技有限公司 | 2025-02-28 | — | — | CN | disclosed |