Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | PDE2A | O00408 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | F11 | P03951 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL28746455 | 1.00 | MAPK1 (0.42) | MAPK1ALDH1A1MAPTHTTSMN1; SMN2 | |
| SCHEMBL29565489 | 0.86 | F11 (0.48) | MAPK1ALDH1A1MAPTHTTSMN1; SMN2 | |
| SCHEMBL28746444 | 0.86 | F11 (0.48) | MAPK1ALDH1A1MAPTHTTSMN1; SMN2 | |
| SCHEMBL28746474 | 0.86 | MAPK1 (0.43) | MAPK1ALDH1A1MAPTHTTSMN1; SMN2 | |
| SCHEMBL28746486 | 0.86 | KMO (0.44) | F11 | |
| SCHEMBL29565437 | 0.86 | KMO (0.44) | F11 | |
| SCHEMBL28746461 | 0.73 | MAPK1 (0.53) | MAPK1ALDH1A1MAPTSMN1; SMN2ALOX15 | |
| SCHEMBL29565445 | 0.72 | F11 (0.52) | F11CYP1A2 | |
| SCHEMBL28746450 | 0.72 | F11 (0.52) | F11CYP1A2 | |
| SCHEMBL3405737 | 0.71 | MAPK1 (0.59) | MAPK1ALDH1A1MAPTSMN1; SMN2ALOX15 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114539158-B | FXIa inhibitor compound and preparation method and application thereof | 沈阳药科大学 | 2023-12-08 | — | — | CN | disclosed |
| CN-114539158-A | FXIa inhibitor compound and preparation method and application thereof | 沈阳药科大学 | 2022-05-27 | — | — | CN | disclosed |