Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.56 |
| ▸ | LTA4H | P09960 | 2/20 | 0.54 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.51 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | DRD4 | P21917 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL15079872 | 0.92 | NPC1 (0.69) | NPC1RAB9AFFAR1LTA4HGAA | |
| SCHEMBL15079869 | 0.89 | MAOB (0.58) | NPC1RAB9AFFAR1LTA4HCYP1A2 | |
| SCHEMBL1070131 | 0.87 | NPC1 (0.73) | NPC1RAB9AFFAR1LTA4HKCNA3 | |
| SCHEMBL8671057 | 0.85 | CYP1A2 (0.66) | NPC1RAB9ALTA4HKCNA3DRD2 | |
| SCHEMBL28156792 | 0.84 | FFAR1 (0.60) | NPC1RAB9AFFAR1LTA4HDRD2 | |
| SCHEMBL11705276 | 0.83 | PPARG (0.65) | NPC1RAB9AFFAR1LTA4HPPARG | |
| SCHEMBL19322271 | 0.83 | PPARG (0.65) | NPC1RAB9AFFAR1LTA4HPPARG | |
| Methane SCHEMBL28866356 | 0.83 | NPC1 (0.68) | NPC1RAB9AFFAR1LTA4HKCNA3 | |
| SCHEMBL9456979 | 0.82 | NPC1 (0.80) | NPC1RAB9AFFAR1LTA4HKCNA3 | |
| SCHEMBL12260697 | 0.82 | NPC1 (0.56) | NPC1RAB9AFFAR1LTA4HKCNA3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018165520-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VPS-3, INC. (US) | 2018-09-13 | — | — | WO | disclosed |
| US-6951918-B2 | Peptidic procollagen C-proteinase inhibitors | SYNTEX (U.S.A.) LLC (US) | 2005-10-04 | — | — | US | disclosed |