Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | GALR3 | O60755 | 1/20 | 0.42 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.41 |
| ▸ | KDM5A | P29375 | 1/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 7/20 | 0.37 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.37 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.37 |
| ▸ | CETP | P11597 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27333602 | 0.90 | ALDH1A1 (0.47) | ALDH1A1MAPTKDM4EMAPK1GALR3 | |
| SCHEMBL27327251 | 0.89 | MAPT (0.45) | ALDH1A1MAPTKDM4EHSD17B2TP53 | |
| SCHEMBL27327254 | 0.87 | MAPT (0.54) | ALDH1A1MAPTKDM4EHSD17B2TP53 | |
| SCHEMBL27327467 | 0.85 | ALDH1A1 (0.47) | ALDH1A1MAPTKDM4EMAPK1GALR3 | |
| SCHEMBL27331373 | 0.82 | HSD17B2 (0.43) | ALDH1A1MAPTKDM4EHSD17B2S1PR4 | |
| SCHEMBL27328954 | 0.81 | ALDH1A1 (0.42) | ALDH1A1MAPTKDM4EMAPK1GALR3 | |
| SCHEMBL27327463 | 0.81 | ALDH1A1 (0.43) | ALDH1A1MAPTKDM4EMAPK1HSD17B2 | |
| SCHEMBL27327253 | 0.81 | S1PR4 (0.45) | ALDH1A1HSD17B2S1PR4S1PR2S1PR1 | |
| SCHEMBL27327257 | 0.79 | S1PR4 (0.48) | ALDH1A1MAPTHSD17B2TP53BLM | |
| SCHEMBL27327661 | 0.78 | HSD17B2 (0.44) | ALDH1A1HSD17B2S1PR4S1PR2S1PR1 |
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-2024103400-A1 | POLYCYCLIC COMPOUND AS GPR75 ACTIVATOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF | 水木未来(北京)科技有限公司 | 2024-05-23 | — | — | WO | disclosed |