Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.66 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.45 |
| ▸ | CLK1 | P49759 | 1/20 | 0.45 |
| ▸ | CLK2 | P49760 | 1/20 | 0.45 |
| ▸ | CLK3 | P49761 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.45 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.45 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.45 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 3/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.44 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.44 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.43 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.43 |
| ▸ | CDK4 | P11802 | 1/20 | 0.42 |
| ▸ | CCND1 | P24385 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2724557 | 0.81 | ESR1 (0.58) | NPC1ESR1ESR2FGFR1 | |
| SCHEMBL30703158 | 0.81 | ESR1 (0.58) | NPC1ESR1ESR2FGFR1 | |
| SCHEMBL1987912 | 0.81 | ESR1 (0.58) | NPC1ESR1ESR2FGFR1 | |
| SCHEMBL446619 | 0.80 | NPC1 (1.00) | NPC1DYRK3CLK1CLK2CLK3 | |
| SCHEMBL30587350 | 0.80 | NPC1 (1.00) | NPC1DYRK3CLK1CLK2CLK3 | |
| SCHEMBL3005121 | 0.79 | ESR1 (0.56) | NPC1ESR1ESR2FGFR1 | |
| SCHEMBL28210414 | 0.78 | NPC1 (0.96) | NPC1DYRK3CLK1CLK2CLK3 | |
| SCHEMBL20120884 | 0.77 | NPC1 (0.92) | NPC1DYRK3CLK1CLK2CLK3 | |
| SCHEMBL28889096 | 0.76 | HTR1D (0.48) | NPC1GSK3BPIK3CDPIK3CBPIK3CG | |
| SCHEMBL30253604 | 0.76 | NPC1 (0.71) | NPC1NOTUMFGFR1CA1CA2 |
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-115368292-A | Benzoindole compound and synthetic method thereof | 陕西科技大学 | 2022-11-22 | — | — | CN | disclosed |