Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.35 |
| ▸ | CDK2 | P24941 | 2/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.31 |
| ▸ | TNF | P01375 | 1/20 | 0.30 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.30 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.30 |
| ▸ | LITAF | Q99732 | 1/20 | 0.30 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.30 |
| ▸ | DAO | P14920 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11500628 | 0.88 | LIPG (0.40) | ALDH1A1HSD17B10 | |
| SCHEMBL764250 | 0.85 | ALDH1A1 (0.41) | ALDH1A1HSD17B10CCNE1CDK2CASP1 | |
| SCHEMBL5546554 | 0.82 | ALDH1A1 (0.38) | ALDH1A1HSD17B10CASP1NAMPTPRMT5 | |
| SCHEMBL27562313 | 0.82 | ALDH1A1 (0.38) | ALDH1A1HSD17B10CASP1NAMPTPRMT5 | |
| SCHEMBL28236330 | 0.79 | HTR1A (0.41) | ALDH1A1HSD17B10CASP1HTR1A | |
| SCHEMBL5543831 | 0.79 | ALDH1A1 (0.36) | ALDH1A1HSD17B10CASP1NAMPTHTR1A | |
| SCHEMBL27569851 | 0.78 | ALDH1A1 (0.35) | ALDH1A1HSD17B10CASP1ADRA2ANAMPT | |
| SCHEMBL5542409 | 0.78 | ALDH1A1 (0.35) | ALDH1A1HSD17B10CASP1NAMPTHTR1A | |
| SCHEMBL3818978 | 0.78 | ALDH1A1 (0.41) | ALDH1A1HSD17B10CCNE1CDK2CASP1 | |
| SCHEMBL3221951 | 0.78 | ALDH1A1 (0.41) | ALDH1A1HSD17B10CCNE1CDK2CASP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3459942-B1 | DNA-PK INHIBITORS | VERTEX PHARMA (US) | 2020-12-30 | — | — | EP | disclosed |