Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.44 |
| ▸ | STS | P08842 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5108931 | 0.82 | ALDH1A1 (0.57) | ALDH1A1L3MBTL1NPC1MAPTMAPK1 | |
| SCHEMBL5198496 | 0.79 | ALDH1A1 (0.57) | ALDH1A1L3MBTL1NPC1MAPTMAPK1 | |
| SCHEMBL23387204 | 0.76 | ALDH1A1 (0.68) | ALDH1A1L3MBTL1NPC1MAPTMAPK1 | |
| SCHEMBL888988 | 0.76 | USP30 (0.57) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL12072637 | 0.76 | USP30 (0.61) | ALDH1A1RAB9AGPR119PARP1 | |
| SCHEMBL8400707 | 0.74 | ALDH1A1 (0.56) | ALDH1A1L3MBTL1NPC1MAPTMAPK1 | |
| SCHEMBL18926997 | 0.74 | EPHX1 (0.70) | ALDH1A1L3MBTL1NPC1MAPTMAPK1 | |
| SCHEMBL6505071 | 0.73 | ALDH1A1 (0.55) | ALDH1A1L3MBTL1NPC1MAPTMAPK1 | |
| SCHEMBL5576143 | 0.73 | ALDH1A1 (0.55) | ALDH1A1L3MBTL1NPC1MAPTMAPK1 | |
| SCHEMBL4597864 | 0.73 | ALDH1A1 (0.55) | ALDH1A1L3MBTL1NPC1MAPTMAPK1 |
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-2018069863-A1 | 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2018-04-19 | — | — | WO | disclosed |