Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.58 |
| ▸ | RAB9A | P51151 | 6/20 | 0.58 |
| ▸ | NCF1 | P14598 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.46 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.46 |
| ▸ | PDE5A | O76074 | 1/20 | 0.45 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL21617043 | 0.91 | SCN9A (0.59) | NPC1RAB9ANCF1SMN1; SMN2PDE10A | |
| SCHEMBL30764799 | 0.91 | SCN9A (0.59) | NPC1RAB9ANCF1SMN1; SMN2PDE10A | |
| SCHEMBL29833517 | 0.85 | NCF1 (0.61) | NPC1RAB9ANCF1SMN1; SMN2MAPT | |
| SCHEMBL396525 | 0.85 | NCF1 (0.61) | NPC1RAB9ANCF1SMN1; SMN2MAPT | |
| SCHEMBL4494871 | 0.82 | KMT2A (0.58) | NPC1RAB9ANCF1SMN1; SMN2MAPT | |
| SCHEMBL4812645 | 0.82 | NCF1 (0.53) | NPC1RAB9ANCF1SMN1; SMN2MAPT | |
| SCHEMBL12431347 | 0.82 | NCF1 (0.58) | NPC1RAB9ANCF1SMN1; SMN2MAPT | |
| SCHEMBL3951916 | 0.81 | IGF1R (0.55) | NPC1RAB9ANCF1SMN1; SMN2KDM4E | |
| SCHEMBL30760998 | 0.80 | NCF1 (0.71) | NPC1RAB9ANCF1SMN1; SMN2KDM4E | |
| SCHEMBL10458402 | 0.80 | NCF1 (0.71) | NPC1RAB9ANCF1SMN1; SMN2KDM4E |
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-116854634-A | Selective CES2 inhibitor, preparation method thereof and application thereof as medicine | 广东药科大学 | 2023-10-10 | — | — | CN | disclosed |