Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.59 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.59 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | PLAU | P00749 | 2/20 | 0.47 |
| ▸ | PLAT | P00750 | 1/20 | 0.47 |
| ▸ | F2 | P00734 | 13/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | F10 | P00742 | 12/20 | 0.45 |
| ▸ | HPN | P05981 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | F3 | P13726 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3438438 | 0.82 | NPC1 (0.63) | AKR1C3AKR1C1NPC1MAPTHPGD | |
| SCHEMBL3438436 | 0.82 | NPC1 (0.63) | AKR1C3AKR1C1NPC1MAPTHPGD | |
| SCHEMBL28741089 | 0.81 | AKR1C3 (0.62) | AKR1C3AKR1C1NPC1MAPTHPGD | |
| SCHEMBL29169541 | 0.81 | AKR1C3 (0.62) | AKR1C3AKR1C1NPC1MAPTHPGD | |
| SCHEMBL14034063 | 0.79 | AKR1C3 (0.65) | AKR1C3AKR1C1NPC1MAPTHPGD | |
| SCHEMBL14033871 | 0.79 | AKR1C3 (0.65) | AKR1C3AKR1C1NPC1MAPTHPGD | |
| SCHEMBL3437924 | 0.79 | ALDH1A1 (0.69) | AKR1C3AKR1C1NPC1MAPTHPGD | |
| SCHEMBL3438570 | 0.79 | NPC1 (0.59) | AKR1C3AKR1C1NPC1MAPTHPGD | |
| SCHEMBL3438571 | 0.79 | NPC1 (0.59) | AKR1C3AKR1C1NPC1MAPTHPGD | |
| SCHEMBL3437923 | 0.79 | ALDH1A1 (0.69) | AKR1C3AKR1C1NPC1MAPTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-104529796-A | Catalytic synthesis application based on frustrated Lewis acid-base pair | UNIV HUNAN | 2015-04-22 | — | — | CN | disclosed |