Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27327257 | 0.91 | S1PR4 (0.48) | TP53ALDH1A1S1PR4MAPTMEN1 | |
| SCHEMBL27327480 | 0.90 | SMN1; SMN2 (0.40) | TP53ALDH1A1KDM4EGAAHSD17B10 | |
| SCHEMBL27327656 | 0.90 | S1PR4 (0.43) | TP53ALDH1A1KDM4EGAAHSD17B10 | |
| SCHEMBL27327478 | 0.89 | ALDH1A1 (0.40) | ALDH1A1KDM4EHSD17B10S1PR4SMN1; SMN2 | |
| SCHEMBL27327471 | 0.85 | SLC2A1 (0.49) | ALDH1A1KDM4ESMN1; SMN2HPGDMAPT | |
| SCHEMBL27327484 | 0.85 | LMNA (0.43) | ALDH1A1KDM4EGAAS1PR4SMN1; SMN2 | |
| SCHEMBL27327475 | 0.85 | KMT2A (0.37) | TP53ALDH1A1KDM4EGAAHSD17B10 | |
| SCHEMBL27327253 | 0.84 | S1PR4 (0.45) | ALDH1A1S1PR4 | |
| SCHEMBL27327661 | 0.83 | HSD17B2 (0.44) | ALDH1A1S1PR4MEN1KMT2A | |
| SCHEMBL27327653 | 0.83 | POLB (0.41) | ALDH1A1KDM4EGAAHSD17B10S1PR4 |
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 |