Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.42 |
| ▸ | RBP4 | P02753 | 1/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.38 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | GPR183 | P32249 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29100769 | 1.00 | NPC1 (0.57) | NPC1POLBALDH1A1MAPTDGAT2 | |
| SCHEMBL30620179 | 0.88 | NPC1 (0.57) | NPC1POLBALDH1A1MAPTDGAT2 | |
| SCHEMBL29100719 | 0.88 | NPC1 (0.57) | NPC1POLBALDH1A1MAPTDGAT2 | |
| SCHEMBL30620177 | 0.87 | NPC1 (0.53) | NPC1POLBALDH1A1MAPTDGAT2 | |
| SCHEMBL29100742 | 0.85 | NPC1 (0.52) | NPC1POLBALDH1A1MAPTDGAT2 | |
| SCHEMBL3759581 | 0.84 | POLB (0.59) | NPC1POLBALDH1A1MAPTDGAT2 | |
| SCHEMBL30620180 | 0.84 | NPC1 (0.53) | NPC1POLBALDH1A1MAPTDGAT2 | |
| SCHEMBL29100737 | 0.84 | NPC1 (0.53) | NPC1POLBALDH1A1MAPTDGAT2 | |
| SCHEMBL15244373 | 0.83 | NPC1 (0.62) | NPC1POLBALDH1A1MAPTDGAT2 | |
| SCHEMBL6081356 | 0.82 | NPC1 (0.61) | NPC1POLBALDH1A1MAPTDGAT2 |
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-117003788-A | Substituted nicotinamide organosilicon compound and preparation method and application thereof | 南开大学 | 2023-11-07 | — | — | CN | disclosed |