Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | BRD2 | P25440 | 1/20 | 0.35 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GRM5 | P41594 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | UBE2N | P61088 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19908235 | 0.78 | ALK (0.46) | BRD4ALDH1A1MEN1GAAMAPK1 | |
| SCHEMBL7951142 | 0.75 | LRRK2 (0.33) | MEN1KMT2A | |
| SCHEMBL14387374 | 0.75 | HTR6 (0.47) | MEN1GAAKMT2ASMN1; SMN2 | |
| SCHEMBL25839034 | 0.72 | HPGD (0.38) | CYP1A2ALDH1A1KDM4EMEN1GAA | |
| SCHEMBL19908281 | 0.72 | ALDH1A1 (0.45) | ALDH1A1GRM5KDM4EGAASMN1; SMN2 | |
| SCHEMBL19908340 | 0.67 | ALK (0.44) | MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL19908477 | 0.67 | ALK (0.64) | CYP1A2ALDH1A1KDM4E | |
| SCHEMBL19908318 | 0.67 | ALK (0.39) | — | |
| SCHEMBL12288810 | 0.66 | MEN1 (0.45) | CYP1A2BRD4BRD2BRD3ALDH1A1 | |
| SCHEMBL30910137 | 0.66 | PIM1 (0.48) | ALOX5BRD4BRD2BRD3KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023131122-A1 | FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 劲方医药科技(上海)有限公司 | 2023-07-13 | — | — | WO | disclosed |