Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.78 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.68 |
| ▸ | RAB9A | P51151 | 4/20 | 0.68 |
| ▸ | HPGD | P15428 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | SNCA | P37840 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4559366 | 0.87 | NPC1 (0.59) | NPC1KDM4EALDH1A1RAB9AHPGD | |
| SCHEMBL9032997 | 0.85 | ALDH1A1 (0.62) | NPC1KDM4EALDH1A1RAB9AHPGD | |
| SCHEMBL1687838 | 0.85 | NPC1 (0.58) | NPC1KDM4EALDH1A1RAB9AHPGD | |
| SCHEMBL3335014 | 0.84 | ALDH1A1 (0.61) | NPC1KDM4EALDH1A1RAB9AHPGD | |
| SCHEMBL4566490 | 0.82 | NPC1 (0.60) | NPC1KDM4EALDH1A1RAB9ADGAT1 | |
| SCHEMBL2415345 | 0.81 | NPC1 (1.00) | NPC1KDM4EALDH1A1RAB9AHPGD | |
| SCHEMBL15245076 | 0.80 | NPC1 (0.56) | NPC1KDM4EALDH1A1RAB9AHPGD | |
| SCHEMBL1171146 | 0.80 | ALDH1A1 (0.53) | NPC1KDM4EALDH1A1RAB9AHPGD | |
| SCHEMBL10325379 | 0.80 | NPC1 (0.52) | NPC1KDM4EALDH1A1RAB9ADGAT1 | |
| SCHEMBL4561934 | 0.78 | NPC1 (0.50) | NPC1KDM4EALDH1A1RAB9AHPGD |
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-2012064569-A1 | IMIDAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2012-05-18 | — | — | WO | disclosed |