Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B2 | P37059 | 1/20 | 0.50 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | S1PR4 | O95977 | 8/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.39 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.39 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27331820 | 0.89 | HSD17B2 (0.47) | HSD17B2MAPTS1PR4KDM4EALDH1A1 | |
| SCHEMBL27327251 | 0.84 | MAPT (0.45) | HSD17B2TP53MAPTBLMS1PR4 | |
| SCHEMBL27331782 | 0.83 | HSD17B2 (0.53) | HSD17B2S1PR4S1PR2S1PR1S1PR5 | |
| SCHEMBL27327254 | 0.77 | MAPT (0.54) | HSD17B2TP53MAPTBLMS1PR4 | |
| SCHEMBL27327252 | 0.75 | POLB (0.49) | HSD17B2TP53MAPTBLMS1PR4 | |
| SCHEMBL27331373 | 0.74 | HSD17B2 (0.43) | HSD17B2MAPTS1PR4KDM4EGAA | |
| SCHEMBL27331216 | 0.74 | ALDH1A1 (0.45) | HSD17B2TP53MAPTBLMS1PR4 | |
| SCHEMBL27327253 | 0.73 | S1PR4 (0.45) | HSD17B2S1PR4ALDH1A1S1PR2S1PR1 | |
| SCHEMBL27331222 | 0.73 | MAPT (0.51) | HSD17B2TP53MAPTBLMS1PR4 | |
| SCHEMBL13909027 | 0.72 | KDM4E (0.50) | CDK2TP53MAPTKDM4ENPC1 |
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 |