Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 6/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | CPB1 | P15086 | 1/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL359900 | 0.91 | KEAP1 (0.55) | SLC22A12KEAP1NFE2L2SMN1; SMN2AKR1B1 | |
| SCHEMBL359636 | 0.89 | SLC22A12 (0.45) | SLC22A12KEAP1NFE2L2SMN1; SMN2AKR1B1 | |
| SCHEMBL18265852 | 0.86 | SLC22A12 (0.44) | SLC22A12KEAP1NFE2L2SMN1; SMN2AKR1B1 | |
| SCHEMBL19746663 | 0.75 | KEAP1 (0.57) | SLC22A12KEAP1NFE2L2AKR1B1MAPT | |
| SCHEMBL19747685 | 0.74 | SLC22A12 (0.47) | SLC22A12KEAP1NFE2L2SMN1; SMN2AKR1B1 | |
| SCHEMBL12359753 | 0.73 | KEAP1 (0.75) | SLC22A12KEAP1NFE2L2SMN1; SMN2MAPT | |
| SCHEMBL21938649 | 0.72 | SLC22A12 (0.45) | SLC22A12KEAP1NFE2L2SMN1; SMN2AKR1B1 | |
| SCHEMBL361256 | 0.70 | AKR1B1 (0.71) | AKR1B1 | |
| SCHEMBL361207 | 0.69 | AKR1B1 (0.54) | AKR1B1 | |
| SCHEMBL3176376 | 0.69 | SLC22A12 (0.59) | SLC22A12KEAP1NFE2L2 |
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-2012009553-A1 | ALDOSE REDUCTASE INHIBITORS AND USES THEREOF | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2012-01-19 | — | — | WO | disclosed |