Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.63 |
| ▸ | RAB9A | P51151 | 1/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.63 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | BCHE | P06276 | 1/20 | 0.54 |
| ▸ | CTSL | P07711 | 4/20 | 0.53 |
| ▸ | CTSB | P07858 | 1/20 | 0.53 |
| ▸ | CTSK | P43235 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.50 |
| ▸ | GSTA1 | P08263 | 1/20 | 0.50 |
| ▸ | FAAH | O00519 | 1/20 | 0.49 |
| ▸ | MGLL | Q99685 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9768852 | 0.89 | BCHE (0.67) | ALDH1A1RAB9ASMN1; SMN2NPSR1BCHE | |
| SCHEMBL22649382 | 0.86 | BCHE (0.64) | ALDH1A1RAB9ASMN1; SMN2NPSR1BCHE | |
| SCHEMBL1562723 | 0.84 | GSTA1 (0.68) | ALDH1A1RAB9ASMN1; SMN2NPSR1BCHE | |
| Diphenylsemicarbazone SCHEMBL29448015 | 0.83 | ALDH1A1 (0.67) | ALDH1A1RAB9ASMN1; SMN2NPSR1BCHE | |
| SCHEMBL5998679 | 0.83 | ALDH1A1 (0.61) | ALDH1A1RAB9ASMN1; SMN2NPSR1BCHE | |
| SCHEMBL14938560 | 0.78 | MAPT (0.78) | ALDH1A1RAB9ASMN1; SMN2NPSR1KDM4E | |
| SCHEMBL12629713 | 0.78 | ALDH1A1 (0.53) | ALDH1A1RAB9ASMN1; SMN2NPSR1BCHE | |
| SCHEMBL2599808 | 0.78 | ALDH1A1 (0.56) | ALDH1A1RAB9ASMN1; SMN2NPSR1BCHE | |
| SCHEMBL6441842 | 0.78 | ALDH1A1 (0.56) | ALDH1A1RAB9ASMN1; SMN2NPSR1BCHE | |
| SCHEMBL10542963 | 0.78 | ALDH1A1 (1.00) | ALDH1A1RAB9ASMN1; SMN2NPSR1BCHE |
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 |