Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.61 |
| ▸ | RAB9A | P51151 | 4/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.61 |
| ▸ | ALOX5 | P09917 | 9/20 | 0.59 |
| ▸ | EPHX2 | P34913 | 7/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CTBP2 | P56545 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8901437 | 1.00 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2MAPK1L3MBTL1 | |
| SCHEMBL9429685 | 0.83 | NPC1 (0.65) | NPC1RAB9ASMN1; SMN2MAPK1L3MBTL1 | |
| SCHEMBL1746753 | 0.79 | SMN1; SMN2 (0.67) | NPC1RAB9ASMN1; SMN2MAPK1L3MBTL1 | |
| SCHEMBL8626714 | 0.79 | NPC1 (0.60) | NPC1RAB9ASMN1; SMN2MAPK1L3MBTL1 | |
| SCHEMBL8626737 | 0.79 | NPC1 (0.60) | NPC1RAB9ASMN1; SMN2MAPK1L3MBTL1 | |
| SCHEMBL8622668 | 0.78 | NPC1 (0.58) | NPC1RAB9ASMN1; SMN2MAPK1L3MBTL1 | |
| SCHEMBL8622647 | 0.78 | NPC1 (0.58) | NPC1RAB9ASMN1; SMN2MAPK1L3MBTL1 | |
| SCHEMBL8136532 | 0.78 | NPC1 (0.73) | NPC1RAB9ASMN1; SMN2MAPK1L3MBTL1 | |
| SCHEMBL9427796 | 0.78 | NPC1 (0.60) | NPC1RAB9ASMN1; SMN2MAPK1L3MBTL1 | |
| 2-(Phenoxymethyl)Benzothiazole SCHEMBL2245843 | 0.78 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2MAPK1L3MBTL1 |
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-1997012866-A1 | BIS-HETEROARYLYLMETHOXYPHENYLKETONE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | ABBOTT LABORATORIES (US) | 1997-04-10 | — | — | WO | disclosed |