Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 2/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28853394 | 0.79 | DAO (0.41) | MCL1NOTUMKDM4EALDH1A1HPGD | |
| SCHEMBL5201509 | 0.79 | TP53 (0.47) | HDAC6MCL1NOTUMKDM4EALDH1A1 | |
| SCHEMBL6471856 | 0.76 | MCL1 (0.39) | MCL1NOTUMKDM4EALDH1A1HPGD | |
| SCHEMBL5227447 | 0.75 | ALDH1A1 (0.56) | MCL1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL28007095 | 0.72 | HDAC10 (0.46) | HDAC10HDAC6MCL1KDM4EALDH1A1 | |
| SCHEMBL9496147 | 0.72 | CA12 (0.50) | MCL1NOTUMKDM4EALDH1A1HPGD | |
| SCHEMBL29103886 | 0.72 | CHRM2 (0.34) | HDAC10HDAC6ALDH1A1 | |
| SCHEMBL9849390 | 0.72 | IRAK4 (0.44) | MCL1NOTUMKDM4EALDH1A1HPGD | |
| SCHEMBL18346854 | 0.71 | ALDH1A1 (0.49) | MCL1NOTUMKDM4EALDH1A1HPGD | |
| SCHEMBL12922870 | 0.71 | NR1H2 (0.56) | NR1H2 |
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-105816453-B | Substituted tricyclic acid derivatives as S1P1 receptor agonists for the treatment of autoimmune and inflammatory disorders | 艾尼纳制药公司 | 2021-03-05 | — | — | CN | disclosed |