Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | SMYD3 | Q9H7B4 | 4/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | GRM5 | P41594 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | ERN1 | O75460 | 1/20 | 0.45 |
| ▸ | ATR | Q13535 | 1/20 | 0.45 |
| ▸ | KDM1A | O60341 | 1/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL148956 | 0.94 | NPC1 (0.56) | NPC1SMYD3L3MBTL1RAB9AGRM5 | |
| SCHEMBL3040194 | 0.88 | L3MBTL1 (0.64) | NPC1L3MBTL1RAB9AGRM5KDM4E | |
| SCHEMBL15535810 | 0.87 | RAB9A (0.65) | NPC1L3MBTL1RAB9AGRM5KDM4E | |
| SCHEMBL15962709 | 0.82 | GRM5 (0.69) | NPC1SMYD3L3MBTL1GRM5MEN1 | |
| SCHEMBL18579817 | 0.82 | KMT2A (0.50) | NPC1SMYD3L3MBTL1RAB9AATR | |
| SCHEMBL29957728 | 0.82 | RAB9A (0.53) | NPC1SMYD3RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL21953980 | 0.80 | KDM1A (0.51) | NPC1L3MBTL1RAB9AGRM5KDM1A | |
| SCHEMBL16573964 | 0.79 | NPC1 (0.76) | NPC1SMYD3L3MBTL1RAB9AGRM5 | |
| SCHEMBL2559523 | 0.79 | HRH3 (0.54) | NPC1RAB9AMEN1KMT2A | |
| SCHEMBL4694494 | 0.78 | NPC1 (0.69) | NPC1SMYD3L3MBTL1RAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |