Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25042948 | 0.84 | ATR (0.53) | ATMATR | |
| SCHEMBL30275259 | 0.84 | ATR (0.53) | ATMATR | |
| SCHEMBL30829221 | 0.82 | PKM (0.40) | PKMMAPTNPC1RAB9AALDH1A1 | |
| SCHEMBL29244004 | 0.82 | PKM (0.40) | PKMMAPTNPC1RAB9AALDH1A1 | |
| SCHEMBL25042592 | 0.81 | ATR (0.48) | MAPTNPC1RAB9AALDH1A1TP53 | |
| SCHEMBL28952341 | 0.80 | HDAC1 (0.35) | HDAC1HDAC6HDAC3HDAC10HDAC2 | |
| SCHEMBL14866975 | 0.78 | ATR (0.39) | HDAC1HDAC6ATMHDAC3HDAC10 | |
| SCHEMBL25042568 | 0.77 | ATR (0.55) | ATMATR | |
| SCHEMBL13178629 | 0.74 | GLS (0.33) | HDAC1HDAC6HDAC3HDAC10HDAC2 | |
| SCHEMBL13178677 | 0.74 | ATR (0.55) | ATMATR |
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-115703768-A | Compounds useful as inhibitors of ATR kinase | 苏州爱科百发生物医药技术有限公司 | 2023-02-17 | — | — | CN | disclosed |