Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.32 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18559161 | 0.88 | L3MBTL1 (0.42) | NPC1L3MBTL1HSP90AA1IDO1HTT | |
| SCHEMBL17705704 | 0.87 | HSP90AA1 (0.47) | NPC1L3MBTL1HSP90AA1IDO1HTT | |
| SCHEMBL26433550 | 0.74 | KDM4E (0.42) | NPC1L3MBTL1HSP90AA1IDO1HTT | |
| SCHEMBL17705706 | 0.74 | CCNB2 (0.31) | — | |
| SCHEMBL26866930 | 0.68 | L3MBTL1 (0.45) | NPC1L3MBTL1HSP90AA1IDO1HTT | |
| SCHEMBL18558989 | 0.68 | GPR84 (0.35) | NPC1IDO1HTTKDM4ERAB9A | |
| SCHEMBL13171259 | 0.67 | L3MBTL1 (0.44) | NPC1L3MBTL1HSP90AA1IDO1HTT | |
| SCHEMBL22035506 | 0.66 | HSP90AA1 (0.42) | NPC1L3MBTL1HSP90AA1IDO1HTT | |
| SCHEMBL19860969 | 0.66 | CCR1 (0.47) | NPC1L3MBTL1HSP90AA1IDO1HTT | |
| SCHEMBL14431324 | 0.66 | GPR84 (0.41) | KDM4EMAPTCYP2C19SLC6A2SMN1; 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-9579319-B2 | Heterocyclic compounds as hedgehog signaling pathway inhibitors | REDX PHARMA PLC (GB) | 2017-02-28 | — | — | US | disclosed |