Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 2/20 | 0.45 |
| ▸ | METAP2 | P50579 | 1/20 | 0.41 |
| ▸ | AXL | P30530 | 2/20 | 0.40 |
| ▸ | CDK4 | P11802 | 3/20 | 0.39 |
| ▸ | CCND1 | P24385 | 3/20 | 0.39 |
| ▸ | CAMK2A | Q9UQM7 | 3/20 | 0.39 |
| ▸ | CAMK2B | Q13554 | 2/20 | 0.39 |
| ▸ | CAMK2G | Q13555 | 2/20 | 0.39 |
| ▸ | CAMK2D | Q13557 | 2/20 | 0.39 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.38 |
| ▸ | CDK2 | P24941 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 3/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 2/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30273162 | 1.00 | PTGES (0.45) | PTGESMETAP2AXLCDK4CCND1 | |
| SCHEMBL24099148 | 0.83 | PARP1 (0.48) | CDK4CCND1CCNE2CCNE1CDK2 | |
| SCHEMBL30380737 | 0.83 | PARP1 (0.48) | CDK4CCND1CCNE2CCNE1CDK2 | |
| SCHEMBL30273149 | 0.82 | PARP1 (0.41) | ALDH1A1LMNAHPGD | |
| SCHEMBL29203527 | 0.82 | PARP1 (0.41) | ALDH1A1LMNAHPGD | |
| SCHEMBL31552856 | 0.81 | TP53 (0.34) | TP53PDE5ACDK9CDK5AURKA | |
| SCHEMBL31552840 | 0.80 | PARP1 (0.43) | TP53ALDH1A1HPGD | |
| SCHEMBL31386900 | 0.80 | PARP1 (0.55) | DYRK1AALDH1A1HPGD | |
| SCHEMBL30273156 | 0.80 | PARP1 (0.50) | CDK2DYRK1AALDH1A1LMNAHPGD | |
| SCHEMBL30273077 | 0.79 | PARP1 (0.50) | TP53FGFR1FLT1ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-116075512-A | Heterocyclic compounds and imaging agents for imaging huntingtin | CHDI基金会股份有限公司 | 2023-05-05 | — | — | CN | disclosed |