Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ALPI | P09923 | 1/20 | 0.33 |
| ▸ | ALPG | P10696 | 1/20 | 0.33 |
| ▸ | PLAA | Q9Y263 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25024913 | 0.84 | CYP2C19 (0.32) | CYP2C19 | |
| SCHEMBL13390165 | 0.82 | HCRTR1 (0.38) | ALDH1A1LMNAHSD17B10KDM4EHTT | |
| SCHEMBL21086581 | 0.81 | NOS1 (0.39) | ALDH1A1LMNAHTTSMN1; SMN2ALPI | |
| SCHEMBL13434308 | 0.76 | ALPI (0.35) | ALDH1A1LMNAHSD17B10KDM4EHTT | |
| SCHEMBL16985332 | 0.76 | CYP4F2 (0.45) | ALDH1A1HSD17B10KDM4ETP53CYP2C19 | |
| SCHEMBL24354406 | 0.71 | KDM4E (0.34) | ALDH1A1LMNAHSD17B10KDM4ENOS1 | |
| SCHEMBL21086263 | 0.71 | CYP4F2 (0.30) | — | |
| SCHEMBL12837968 | 0.70 | LMNA (0.44) | ALDH1A1LMNAHSD17B10KDM4EALPI | |
| SCHEMBL18645249 | 0.69 | LRRK2 (0.41) | ALDH1A1LMNAHSD17B10KDM4EHTT | |
| SCHEMBL12693763 | 0.69 | HCRTR1 (0.36) | ALDH1A1HSD17B10TP53SMN1; SMN2CYP2C19 |
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-2023016518-A1 | HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF | 四川海思科制药有限公司 | 2023-02-16 | — | — | WO | disclosed |