Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.49 |
| ▸ | XDH | P47989 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | MET | P08581 | 4/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | MYC | P01106 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6131064 | 0.85 | ABCG2 (0.53) | ABCG2NPC1L3MBTL1MEN1KMT2A | |
| SCHEMBL1232247 | 0.81 | MEN1 (0.51) | ABCG2XDHNPC1MEN1KMT2A | |
| SCHEMBL20743783 | 0.80 | ABCG2 (0.36) | ABCG2XDHGABRA1GABRG2GABRB3 | |
| SCHEMBL28198548 | 0.79 | CYP2A6 (0.56) | KMT2ARXFP1LMNAMAPT | |
| SCHEMBL5670233 | 0.73 | ADORA1 (0.42) | L3MBTL1MEN1KMT2ACTSKMAPT | |
| SCHEMBL9514248 | 0.73 | CLK4 (0.46) | RXFP1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL8501004 | 0.73 | NPC1 (0.70) | NPC1L3MBTL1MEN1KMT2ARXFP1 | |
| SCHEMBL30968240 | 0.72 | KDM4C (0.39) | ABCG2XDHMETCTSK | |
| Ammonia Solution, Strong SCHEMBL27968646 | 0.71 | NPC1 (0.68) | NPC1L3MBTL1MEN1KMT2ARXFP1 | |
| SCHEMBL29640777 | 0.70 | KDM4E (0.53) | NPC1L3MBTL1POLBLMNA |
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-111655688-B | Substituted pyrrolopyridines as ATR inhibitors | 蓝谷制药有限责任公司 | 2023-09-29 | — | — | CN | disclosed |