Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.37 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.37 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.37 |
| ▸ | AMY1A | P0DUB6 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | SNCA | P37840 | 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 | |
|---|---|---|---|---|
| SCHEMBL30632897 | 0.79 | NFE2L2 (0.50) | — | |
| SCHEMBL30632956 | 0.77 | RAB9A (0.58) | HTTLMNAMAPTMEN1KMT2A | |
| SCHEMBL30632941 | 0.76 | HTR2A (0.38) | — | |
| SCHEMBL30632943 | 0.76 | NFE2L2 (0.33) | ALDH1A1HTTMAPTNTSR1KMT2A | |
| SCHEMBL30633073 | 0.76 | NPC1 (0.36) | ALDH1A1HTTLMNAMAPTSNCA | |
| SCHEMBL18640449 | 0.76 | MAPT (0.60) | ALDH1A1HTTLMNAMAPTSNCA | |
| SCHEMBL18640452 | 0.76 | MAPT (0.60) | ALDH1A1HTTLMNAMAPTSNCA | |
| SCHEMBL30633018 | 0.76 | MAPT (0.60) | ALDH1A1HTTLMNAMAPTSNCA | |
| SCHEMBL31463506 | 0.75 | KCNJ1 (0.43) | ALDH1A1HIF1ACYP3A4AMY1AMAPT | |
| SCHEMBL1127509 | 0.75 | KCNJ1 (0.43) | ALDH1A1HIF1ACYP3A4AMY1AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-111886234-B | Heterocyclic mitochondrial activity inhibitors and uses thereof | 蒙特利尔大学 | 2023-12-15 | — | — | CN | disclosed |