Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | GRN | P28799 | 1/20 | 0.32 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | RXRB | P28702 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20859665 | 0.78 | TDP1 (0.39) | GFERKDM4EALDH1A1TDP1 | |
| SCHEMBL3674837 | 0.76 | TDP1 (0.46) | TPMTHSD17B10GFERKDM4EALDH1A1 | |
| SCHEMBL21465765 | 0.74 | MCL1 (0.37) | KDM4EALDH1A1SMN1; SMN2MCL1HCAR2 | |
| SCHEMBL4544341 | 0.74 | ALDH1A1 (0.39) | HSD17B10ALDH1A1DAOGPR35MCL1 | |
| SCHEMBL2495583 | 0.71 | GPR35 (0.39) | TPMTHSD17B10GFERKDM4EALDH1A1 | |
| Lithium SCHEMBL31223142 | 0.70 | CYP2C19 (0.46) | ALDH1A1KMT2ATDP1MEN1 | |
| SCHEMBL27460336 | 0.69 | GFER (0.32) | TPMTHSD17B10GFER | |
| SCHEMBL13817619 | 0.68 | ALDH1A1 (0.50) | HSD17B10KDM4EALDH1A1MCL1GRN | |
| SCHEMBL22066872 | 0.68 | TYR (0.42) | TPMTHSD17B10GFERKDM4EALDH1A1 | |
| SCHEMBL6419416 | 0.67 | MAPT (0.39) | KDM4EALDH1A1SMN1; SMN2KMT2A |
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-1192035-C | Inhibitors of interleukin-1'beta' converting enzyme | VERTEX PHARMA (US) | 2005-03-09 | — | — | CN | disclosed |