Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 3/20 | 0.52 |
| ▸ | CCR3 | P51677 | 1/20 | 0.45 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ORAI1 | Q96D31 | 2/20 | 0.42 |
| ▸ | AIMP2 | Q13155 | 1/20 | 0.41 |
| ▸ | ECE2 | P0DPD6 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 2/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CLK1 | P49759 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22605517 | 0.85 | HDAC3 (0.60) | HDAC3CCR3CCNE1CDK2CDK5 | |
| SCHEMBL31285852 | 0.85 | HDAC3 (0.60) | HDAC3CCR3CCNE1CDK2CDK5 | |
| SCHEMBL30317154 | 0.83 | HDAC3 (0.48) | HDAC3CCR3CCNE1CDK2CDK5 | |
| SCHEMBL31285878 | 0.82 | MAPK1 (0.48) | HDAC3CCR3CCNE1CDK2CDK5 | |
| SCHEMBL22587986 | 0.82 | MAPK1 (0.48) | HDAC3CCR3CCNE1CDK2CDK5 | |
| SCHEMBL22588162 | 0.73 | HDAC3 (0.45) | HDAC3CCR3ECE2SYK | |
| SCHEMBL22605819 | 0.71 | MLNR (0.51) | SYK | |
| SCHEMBL28527229 | 0.71 | SYK (0.41) | CCR3ECE2SYK | |
| SCHEMBL28537777 | 0.70 | FNTA (0.46) | ALDH1A1GRIN2BKDM4E | |
| SCHEMBL22605698 | 0.69 | PLD2 (0.62) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111848598-A | Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound | 健艾仕生物医药有限公司 | 2020-10-30 | — | — | CN | disclosed |
| WO-2020216378-A1 | HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME | 健艾仕生物医药有限公司 | 2020-10-29 | — | — | WO | disclosed |