Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 5/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.45 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.45 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.45 |
| ▸ | PDE5A | O76074 | 1/20 | 0.44 |
| ▸ | PDE9A | O76083 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | KMO | O15229 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | SPR | P35270 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28626909 | 0.86 | AKR1C3 (0.47) | AKR1C3AKR1C2PTGDR2SRCKIF11 | |
| SCHEMBL28626501 | 0.86 | SPR (0.44) | AKR1C3AKR1C2PTGDR2SRCKIF11 | |
| SCHEMBL20120108 | 0.82 | KDM4E (0.50) | AKR1C3AKR1C2PTGDR2PLA2G4AEGFR | |
| SCHEMBL34461880 | 0.82 | EGFR (0.47) | PLA2G4AEGFRSPRNR1H4 | |
| SCHEMBL28621975 | 0.82 | MEN1 (0.51) | SRC | |
| SCHEMBL18509545 | 0.81 | SPR (0.59) | AKR1C3AKR1C2PLA2G4AEGFRSPR | |
| SCHEMBL17968711 | 0.81 | KIF11 (0.49) | AKR1C3AKR1C2PTGDR2EGFRSRC | |
| SCHEMBL18509564 | 0.80 | AKR1C3 (0.56) | AKR1C3AKR1C2PLA2G4AEGFRKMO | |
| SCHEMBL18509730 | 0.80 | PLA2G4A (0.47) | AKR1C3AKR1C2PLA2G4APDE5APDE9A | |
| SCHEMBL18509742 | 0.80 | PLA2G2A (0.48) | AKR1C3AKR1C2PLA2G4AEGFRSPR |
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-113429332-B | 3-substituted indole derivative, preparation method thereof and application thereof in antitumor drugs | 长春工业大学 | 2023-12-15 | — | — | CN | disclosed |
| CN-113429332-A | 3-substituted indole derivative, preparation method thereof and application thereof in antitumor drugs | 长春工业大学 | 2021-09-24 | — | — | CN | disclosed |