Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.58 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | ACACB | O00763 | 1/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.43 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | DDB1 | Q16531 | 2/20 | 0.40 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.39 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL25604351 | 0.91 | ESR2 (0.53) | ESR2NR1H2MAPK1ADORA1MAPT | |
| SCHEMBL25604196 | 0.90 | ESR2 (0.58) | ESR2NR1H2MAPK1ACACBSCN9A | |
| SCHEMBL25825899 | 0.88 | ESR2 (0.49) | ESR2NR1H2MAPK1ACACBSCN9A | |
| SCHEMBL15503203 | 0.88 | ESR2 (0.56) | ESR2NR1H2MAPK1ACACBSCN9A | |
| SCHEMBL17583907 | 0.86 | ESR2 (0.62) | ESR2NR1H2MAPK1ACACBSCN9A | |
| SCHEMBL30150249 | 0.84 | ESR2 (0.57) | ESR2NR1H2MAPK1ACACBSCN9A | |
| SCHEMBL16039921 | 0.82 | ESR2 (0.58) | ESR2NR1H2MAPK1ACACBSCN9A | |
| SCHEMBL31680222 | 0.80 | ESR2 (0.61) | ESR2NR1H2MAPK1ACACBSCN9A | |
| SCHEMBL2117366 | 0.80 | ESR2 (0.61) | ESR2NR1H2MAPK1ACACBSCN9A | |
| SCHEMBL25604257 | 0.80 | ESR2 (0.54) | ESR2MAPK1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023125944-A1 | COMPOUND CONTAINING HETEROCYCLIC RING | 正大天晴药业集团股份有限公司 | 2023-07-06 | — | — | WO | disclosed |
| WO-2023088406-A1 | FUSED IMIDE DERIVATIVE | 正大天晴药业集团股份有限公司 | 2023-05-25 | — | — | WO | disclosed |