Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.41 |
| ▸ | RAB9A | P51151 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.35 |
| ▸ | NCF1 | P14598 | 2/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.34 |
| ▸ | AR | P10275 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4370064 | 0.84 | NPC1 (0.40) | NPC1RAB9AALDH1A1CYP3A4MEN1 | |
| SCHEMBL7037068 | 0.74 | ALDH1A1 (0.47) | NPC1RAB9AALDH1A1CYP3A4MEN1 | |
| SCHEMBL28995850 | 0.69 | ADRA1A (0.49) | NPC1RAB9AALDH1A1CYP3A4MEN1 | |
| SCHEMBL12533917 | 0.67 | ALDH1A1 (0.52) | NPC1RAB9AALDH1A1CYP3A4MEN1 | |
| SCHEMBL12533914 | 0.67 | ALDH1A1 (0.52) | NPC1RAB9AALDH1A1CYP3A4MEN1 | |
| SCHEMBL12533920 | 0.67 | ALDH1A1 (0.52) | NPC1RAB9AALDH1A1CYP3A4MEN1 | |
| SCHEMBL902873 | 0.67 | NPC1 (0.52) | NPC1RAB9AALDH1A1CYP3A4MEN1 | |
| SCHEMBL29390450 | 0.67 | NPC1 (0.52) | NPC1RAB9AALDH1A1CYP3A4MEN1 | |
| SCHEMBL2808040 | 0.67 | ALDH1A1 (0.38) | NPC1RAB9AALDH1A1CYP3A4MEN1 | |
| SCHEMBL9847248 | 0.66 | AOC3 (0.36) | NPC1RAB9AALDH1A1MAPTCA12 |
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-5491152-A | Derivatives of cyclic ethers and sulfides for the treatment of atherosclerosis | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-02-13 | — | — | US | disclosed |