Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.50 |
| ▸ | NOS1 | P29475 | 1/20 | 0.50 |
| ▸ | NOS2 | P35228 | 1/20 | 0.50 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | FDPS | P14324 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL130124 | 1.00 | NOS3 (0.50) | NOS3NOS1NOS2SSTR4NPC1 | |
| SCHEMBL77479 | 0.82 | NOS3 (0.48) | NOS3NOS1NOS2SSTR4NPC1 | |
| SCHEMBL15192976 | 0.79 | SSTR4 (0.39) | NOS3NOS1NOS2SSTR4NPC1 | |
| SCHEMBL5038676 | 0.78 | ALDH1A1 (0.44) | KDM4EL3MBTL1HTTSLC6A2CYP3A4 | |
| SCHEMBL1332434 | 0.78 | NOS3 (0.45) | NOS3NOS1NOS2SSTR4NPC1 | |
| SCHEMBL16252854 | 0.78 | NOS3 (0.50) | NOS3NOS1NOS2SSTR4NPC1 | |
| SCHEMBL16019426 | 0.78 | NOS3 (0.45) | NOS3NOS1NOS2SSTR4NPC1 | |
| SCHEMBL129161 | 0.78 | NOS3 (0.41) | NOS3NOS1NOS2SSTR4NPC1 | |
| SCHEMBL23126660 | 0.77 | ACSS2 (0.36) | KDM4EL3MBTL1MAPTHTTCYP3A4 | |
| SCHEMBL16836001 | 0.77 | SMN1; SMN2 (0.35) | SSTR4KDM4EL3MBTL1MAPTHTT |
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-2024056016-A1 | FREE BASE CRYSTAL FORM OF POLYCYCLIC COMPOUND OF NITROGEN-CONTAINING HETEROCYCLE, AND PREPARATION METHOD THEREFOR | 江苏豪森药业集团有限公司 | 2024-03-21 | — | — | WO | disclosed |