Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14938457 | 0.79 | ALDH1A1 (0.51) | ALDH1A1RAB9ARAD51NPC1SMN1; SMN2 | |
| SCHEMBL14950299 | 0.74 | RAB9A (0.49) | ALDH1A1RAB9ARAD51NPC1SMN1; SMN2 | |
| SCHEMBL14938483 | 0.74 | RAB9A (0.56) | ALDH1A1RAB9ANPC1SMN1; SMN2HTT | |
| SCHEMBL8397095 | 0.74 | ALDH1A1 (0.55) | ALDH1A1RAB9ADRD2NPC1KEAP1 | |
| SCHEMBL14938440 | 0.73 | RAB9A (0.63) | ALDH1A1RAB9ANPC1SMN1; SMN2HTT | |
| SCHEMBL14938438 | 0.73 | RAB9A (0.63) | ALDH1A1RAB9ANPC1SMN1; SMN2HTT | |
| SCHEMBL8392199 | 0.73 | ALDH1A1 (0.69) | ALDH1A1RAB9ANPC1HTT | |
| SCHEMBL14938727 | 0.72 | NPC1 (0.43) | ALDH1A1RAB9ANPC1SMN1; SMN2MAPT | |
| SCHEMBL14938449 | 0.72 | HSD17B10 (0.59) | ALDH1A1RAB9ANPC1SMN1; SMN2MAPT | |
| SCHEMBL14938600 | 0.72 | SMN1; SMN2 (0.43) | ALDH1A1RAB9ANPC1SMN1; SMN2MAPT |
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-2013067646-A1 | PROCESS FOR THE SYNTHESIS OF BETA-AMINOCARBONYLS | UNIVERSITY OF OTTAWA (CA) | 2013-05-16 | — | — | WO | disclosed |