Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.45 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 6/20 | 0.33 |
| ▸ | IDH2 | P48735 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | PIM1 | P11309 | 1/20 | 0.30 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31138639 | 0.78 | — | — | |
| SCHEMBL9668609 | 0.77 | HPGD (0.31) | HPGD | |
| SCHEMBL16534732 | 0.77 | CBFB (0.47) | GABRA1GABRG2GABRB3GABRA3HPGD | |
| SCHEMBL25196015 | 0.74 | SPR (0.39) | GABRA1GABRG2GABRB3GABRA3ALDH1A1 | |
| SCHEMBL30442598 | 0.74 | SPR (0.39) | GABRA1GABRG2GABRB3GABRA3ALDH1A1 | |
| SCHEMBL22051478 | 0.74 | CCR1 (0.39) | GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL10177266 | 0.73 | DGAT1 (0.40) | GABRA1GABRG2GABRB3GABRA3HPGD | |
| SCHEMBL30442899 | 0.73 | DGAT1 (0.40) | GABRA1GABRG2GABRB3GABRA3HPGD | |
| SCHEMBL31138525 | 0.73 | ULK1 (0.32) | KDM4E | |
| SCHEMBL3795290 | 0.72 | TRPA1 (0.35) | HPGDNPSR1AHR |
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-116813619-A | Macrocyclic inhibitors of Wee1 | 南京正大天晴制药有限公司 | 2023-09-29 | — | — | CN | disclosed |