Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | MAOA | P21397 | 7/20 | 0.48 |
| ▸ | MAOB | P27338 | 7/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 2/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.40 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL385690 | 0.84 | PPARA (0.58) | KDM4EALDH1A1HPGDHSD17B10MAOA | |
| SCHEMBL13956306 | 0.82 | ALDH1A1 (0.50) | KDM4EALDH1A1HPGDHSD17B10NPC1 | |
| SCHEMBL429910 | 0.82 | MAOA (0.58) | MAOAMAOBNPC1RAB9ATDP1 | |
| SCHEMBL29549500 | 0.82 | MAOA (0.58) | MAOAMAOBNPC1RAB9ATDP1 | |
| SCHEMBL8116474 | 0.82 | ALDH1A1 (0.50) | KDM4EALDH1A1HPGDHSD17B10MAOB | |
| SCHEMBL11782480 | 0.81 | PPARA (0.51) | KDM4EALDH1A1MAOAMAOBNPC1 | |
| SCHEMBL114035 | 0.81 | CASP1 (0.56) | KDM4EALDH1A1HPGDHSD17B10RAB9A | |
| SCHEMBL1866841 | 0.81 | CASP1 (0.56) | KDM4EALDH1A1HPGDHSD17B10RAB9A | |
| SCHEMBL1959473 | 0.80 | CYSLTR2 (0.57) | ALDH1A1MAOAMAOBNPC1RAB9A | |
| SCHEMBL22214975 | 0.80 | MAOA (0.69) | KDM4EALDH1A1MAOAMAOBNPC1 |
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-2017197488-A1 | LIBRARIES OF DIVERSE MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | CYCLENIUM PHARMA INC. (CA) | 2017-11-23 | — | — | WO | disclosed |