Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.61 |
| ▸ | RAB9A | P51151 | 3/20 | 0.61 |
| ▸ | NAMPT | P43490 | 2/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.53 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL28088112 | 1.00 | NPC1 (0.61) | NPC1RAB9ANAMPTL3MBTL1PKM | |
| SCHEMBL29457342 | 0.85 | NAMPT (0.80) | NPC1RAB9ANAMPTPKMLMNA | |
| SCHEMBL349933 | 0.85 | NAMPT (0.80) | NPC1RAB9ANAMPTPKMLMNA | |
| SCHEMBL22920041 | 0.83 | L3MBTL1 (0.60) | NPC1RAB9ANAMPTL3MBTL1PKM | |
| SCHEMBL30352289 | 0.81 | KDM4E (0.62) | NPC1RAB9ANAMPTPKMLMNA | |
| SCHEMBL1070561 | 0.81 | KDM4E (0.62) | NPC1RAB9ANAMPTPKMLMNA | |
| SCHEMBL4436187 | 0.80 | PDK1 (0.53) | NPC1RAB9AMEN1KMT2AHTT | |
| SCHEMBL27556272 | 0.80 | NAMPT (0.61) | NPC1RAB9ANAMPTPKMLMNA | |
| Fluoride SCHEMBL10887137 | 0.79 | PDK1 (0.51) | NPC1RAB9AMEN1KMT2AHTT | |
| SCHEMBL6260359 | 0.78 | NAMPT (0.69) | NPC1RAB9ANAMPTPKMLMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024010815-A2 | NON-STEROIDAL DUAL ANDROGEN AND GLUCOCORTICOID RECEPTOR ANTAGONISTS | UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) | 2024-01-11 | — | — | WO | disclosed |