Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 2/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.35 |
| ▸ | GSK3B | P49841 | 3/20 | 0.35 |
| ▸ | WNT1 | P04628 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.35 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16636909 | 0.90 | IL2 (0.42) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL16636715 | 0.83 | IL2 (0.40) | NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL16636887 | 0.81 | NPC1 (0.37) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL16636752 | 0.81 | BRD4 (0.36) | NPC1RAB9ASMN1; SMN2ALDH1A1CDK1 | |
| SCHEMBL16636428 | 0.79 | IL2 (0.45) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL16636870 | 0.78 | IL2 (0.37) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL16636701 | 0.77 | IL2 (0.42) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL16637371 | 0.77 | IL2 (0.43) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL16636510 | 0.77 | IL2 (0.37) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL16636932 | 0.75 | SCN9A (0.36) | NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A |
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-2015054283-A1 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | CALCIMEDICA, INC. (US) | 2015-04-16 | — | — | WO | disclosed |