Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.43 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.39 |
| ▸ | KMO | O15229 | 1/20 | 0.37 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.36 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.35 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30435292 | 1.00 | AKR1C3 (0.43) | AKR1C3AKR1C2S1PR4CNR2NR1H4 | |
| SCHEMBL3716976 | 0.84 | AKR1C3 (0.57) | AKR1C3AKR1C2NR1H4KMOFOLH1 | |
| SCHEMBL28784391 | 0.80 | PARP1 (0.51) | AKR1C3AKR1C2LRRK2 | |
| Hydrochloric Acid SCHEMBL18138750 | 0.79 | PARP1 (0.50) | AKR1C3AKR1C2LRRK2 | |
| SCHEMBL4804883 | 0.76 | KMO (0.62) | NR1H4KMOERCC5FEN1HDAC8 | |
| SCHEMBL28940687 | 0.75 | ESR2 (0.51) | AKR1C3AKR1C2CNR2CES2CES1 | |
| SCHEMBL1513336 | 0.73 | BCL2L1 (0.49) | SUCNR1 | |
| SCHEMBL3201162 | 0.73 | NR1H4 (0.59) | AKR1C3AKR1C2NR1H4KMOFOLH1 | |
| SCHEMBL6032308 | 0.73 | RXRA (0.52) | HDAC8 | |
| SCHEMBL271385 | 0.73 | L3MBTL1 (0.52) | KMOCES2CES1 |
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-116194437-A | Cyano-substituted aryl or heteroaryl derivative and organic electroluminescent element comprising same | 株式会社乐普拓 | 2023-05-30 | — | — | CN | disclosed |