Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | ADH1B | P00325 | 2/20 | 0.35 |
| ▸ | ADH1C | P00326 | 2/20 | 0.35 |
| ▸ | ADH1A | P07327 | 2/20 | 0.35 |
| ▸ | ADH4 | P08319 | 2/20 | 0.35 |
| ▸ | ADH7 | P40394 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL386138 | 1.00 | NPC1 (0.47) | NPC1ADH1BADH1CADH1AADH4 | |
| SCHEMBL29956487 | 0.98 | NPC1 (0.43) | NPC1ADH1BADH1CADH1AADH4 | |
| SCHEMBL1400901 | 0.93 | — | — | |
| SCHEMBL10749421 | 0.88 | — | — | |
| SCHEMBL27599955 | 0.87 | NPC1 (0.44) | NPC1ADH1BADH1CADH1AADH4 | |
| SCHEMBL23270238 | 0.84 | NPC1 (0.41) | NPC1ADH1BADH1CADH1AADH4 | |
| SCHEMBL23270243 | 0.83 | NPC1 (0.39) | NPC1HPGDNAAA | |
| SCHEMBL6380663 | 0.79 | NPC1 (0.48) | NPC1HPGDNAAAEPHX1 | |
| SCHEMBL6380359 | 0.79 | NPC1 (0.48) | NPC1HPGDNAAAEPHX1 | |
| SCHEMBL6385032 | 0.79 | NPC1 (0.48) | NPC1HPGDNAAAEPHX1 |
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 |