Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.82 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.82 |
| ▸ | GAA | P10253 | 4/20 | 0.82 |
| ▸ | MAPT | P10636 | 3/20 | 0.82 |
| ▸ | RAB9A | P51151 | 3/20 | 0.82 |
| ▸ | NPC1 | O15118 | 2/20 | 0.82 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.82 |
| ▸ | TP53 | P04637 | 1/20 | 0.82 |
| ▸ | HPGD | P15428 | 6/20 | 0.67 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.67 |
| ▸ | HTR6 | P50406 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | XBP1 | P17861 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL16732481 | 0.88 | KDM4E (0.71) | KDM4EALDH1A1GAAMAPTRAB9A | |
| SCHEMBL13758172 | 0.87 | ALDH1A1 (0.76) | KDM4EALDH1A1GAAMAPTRAB9A | |
| SCHEMBL31682820 | 0.87 | ALDH1A1 (0.76) | KDM4EALDH1A1GAAMAPTRAB9A | |
| SCHEMBL14174305 | 0.87 | ALDH1A1 (0.76) | KDM4EALDH1A1GAAMAPTRAB9A | |
| SCHEMBL16747008 | 0.86 | ALDH1A1 (0.61) | KDM4EALDH1A1GAAMAPTRAB9A | |
| SCHEMBL1259124 | 0.86 | KDM4E (0.61) | KDM4EALDH1A1GAAMAPTRAB9A | |
| Hydrochloric Acid SCHEMBL16732975 | 0.85 | ALDH1A1 (0.60) | KDM4EALDH1A1GAAMAPTRAB9A | |
| SCHEMBL4332747 | 0.84 | KDM4E (0.70) | KDM4EALDH1A1GAAMAPTRAB9A | |
| SCHEMBL6923876 | 0.83 | KDM4E (0.69) | KDM4EALDH1A1GAAMAPTRAB9A | |
| Hydrochloric Acid SCHEMBL8801503 | 0.82 | KDM4E (0.68) | KDM4EALDH1A1GAAMAPTRAB9A |
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 |