Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | MLYCD | O95822 | 3/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | THRA | P10827 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.30 |
| ▸ | RAB9A | P51151 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10353860 | 0.73 | NPC1 (0.46) | L3MBTL1NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL3663713 | 0.73 | FFAR1 (0.46) | L3MBTL1NPC1RAB9AALDH1A1 | |
| SCHEMBL9734082 | 0.71 | HAO1 (0.47) | HSP90AA1KCNH2RAB9AALDH1A1MAPT | |
| SCHEMBL7368111 | 0.67 | NPC1 (0.61) | HSP90AA1KCNH2L3MBTL1NPC1RAB9A | |
| SCHEMBL9780236 | 0.67 | RAB9A (0.36) | MLYCDNPC1RAB9AMAPT | |
| SCHEMBL8533727 | 0.66 | GSK3B (0.53) | HSP90AA1KCNH2ALDH1A1MAPT | |
| SCHEMBL10489592 | 0.66 | NPC1 (0.57) | L3MBTL1MMP1NPC1RAB9AALDH1A1 | |
| SCHEMBL11728908 | 0.66 | KMT2A (0.58) | L3MBTL1THRBNPC1RAB9AALDH1A1 | |
| SCHEMBL9733687 | 0.66 | HAO1 (0.43) | L3MBTL1NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL26261148 | 0.66 | GSK3B (0.61) | RAB9AALDH1A1MAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5135940-A | Antiallegens, antiinflammatory agents | MERCK FROSST CANADA, INC. (CA) | 1992-08-04 | — | — | US | disclosed |
| EP-0252639-A1 | Leukotriene antagonists | MERCK FROSST CANADA INC. (CA) | 1988-01-13 | — | — | EP | disclosed |
| EP-0104885-B1 | LEUKOTRIENE ANTAGONISTS, THEIR PRODUCTION, AND COMPOSITIONS CONTAINING THEM | MERCK FROSST CANADA INC. (CA) | 1986-06-04 | — | — | EP | disclosed |
| EP-0156233-A2 | Use of leukotriene antagonists for producing cytoprotective pharmaceutical compositions and process for producing cytoprotective pharmaceutical compositions | MERCK & CO. INC. (US) | 1985-10-02 | — | — | EP | disclosed |
| EP-0104885-A1 | Leukotriene antagonists, their production, and compositions containing them | MERCK FROSST CANADA INC. (CA) | 1984-04-04 | — | — | EP | disclosed |