Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | GALR3 | O60755 | 1/20 | 0.40 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 10/20 | 0.39 |
| ▸ | S1PR2 | O95136 | 4/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL27327467 | 0.93 | ALDH1A1 (0.47) | ALDH1A1NUDT1MAPTKDM4EMAPK1 | |
| SCHEMBL27331216 | 0.90 | ALDH1A1 (0.45) | ALDH1A1MAPTKDM4EMAPK1GALR3 | |
| SCHEMBL27327253 | 0.90 | S1PR4 (0.45) | ALDH1A1HSD17B2S1PR4S1PR2S1PR5 | |
| SCHEMBL27327257 | 0.87 | S1PR4 (0.48) | ALDH1A1MAPTHSD17B2S1PR4S1PR2 | |
| SCHEMBL27327661 | 0.87 | HSD17B2 (0.44) | ALDH1A1HSD17B2S1PR4S1PR2S1PR5 | |
| SCHEMBL27327659 | 0.86 | S1PR4 (0.51) | S1PR4S1PR2S1PR5S1PR1S1PR3 | |
| SCHEMBL27327660 | 0.85 | S1PR4 (0.41) | ALDH1A1MAPTKDM4EHSD17B2S1PR4 | |
| SCHEMBL27327663 | 0.83 | S1PR4 (0.53) | ALDH1A1MAPTKDM4ENPSR1S1PR4 | |
| SCHEMBL27327662 | 0.83 | S1PR4 (0.43) | ALDH1A1MAPTKDM4EHSD17B2S1PR4 | |
| SCHEMBL27327470 | 0.82 | ALDH1A1 (0.45) | ALDH1A1MAPTKDM4EMAPK1NPSR1 |
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 |