Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.59 |
| ▸ | RAB9A | P51151 | 5/20 | 0.59 |
| ▸ | PKM | P14618 | 3/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | DRD1 | P21728 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL29952168 | 0.88 | NPC1 (0.59) | NPC1RAB9APKMCYP11B2SMN1; SMN2 | |
| SCHEMBL14259445 | 0.78 | NPC1 (0.67) | NPC1RAB9APKMCYP11B2SMN1; SMN2 | |
| SCHEMBL17067786 | 0.77 | NPC1 (0.67) | NPC1RAB9APKMCYP11B2SMN1; SMN2 | |
| SCHEMBL3051492 | 0.77 | NPC1 (0.65) | NPC1RAB9APKMCYP11B2SMN1; SMN2 | |
| SCHEMBL28625588 | 0.77 | NPC1 (0.65) | NPC1RAB9APKMCYP11B2SMN1; SMN2 | |
| SCHEMBL4188221 | 0.76 | NPC1 (1.00) | NPC1RAB9APKMCYP11B2SMN1; SMN2 | |
| SCHEMBL29874794 | 0.76 | NPC1 (1.00) | NPC1RAB9APKMCYP11B2SMN1; SMN2 | |
| SCHEMBL29431366 | 0.75 | UGCG (0.39) | UGCG | |
| SCHEMBL289469 | 0.75 | UGCG (0.39) | UGCG | |
| SCHEMBL2627975 | 0.74 | PARP1 (0.47) | RAB9AKMT2AGAAHDAC6HTR1A |
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 |