Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 1/20 | 0.60 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.60 |
| ▸ | JAK2 | O60674 | 1/20 | 0.50 |
| ▸ | JAK1 | P23458 | 1/20 | 0.50 |
| ▸ | TYK2 | P29597 | 1/20 | 0.50 |
| ▸ | CRHR1 | P34998 | 6/20 | 0.47 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.47 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.45 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27607610 | 1.00 | ITGB1 (0.60) | ITGB1ITGA4JAK2JAK1TYK2 | |
| SCHEMBL79913 | 0.84 | ITGB1 (0.48) | ITGB1ITGA4JAK2JAK1TYK2 | |
| SCHEMBL79912 | 0.84 | ITGB1 (0.48) | ITGB1ITGA4JAK2JAK1TYK2 | |
| SCHEMBL13753374 | 0.81 | JAK2 (0.57) | ITGB1ITGA4JAK2JAK1TYK2 | |
| SCHEMBL13753890 | 0.81 | JAK2 (0.57) | ITGB1ITGA4JAK2JAK1TYK2 | |
| SCHEMBL28856403 | 0.80 | ITGB2 (0.57) | ITGB1ITGA4LMNAHPGDMAPT | |
| SCHEMBL31446360 | 0.79 | PPARG (0.53) | LMNATSHRSMN1; SMN2 | |
| SCHEMBL13753424 | 0.79 | JAK2 (0.54) | ITGB1ITGA4JAK2JAK1TYK2 | |
| SCHEMBL21581967 | 0.78 | ITGB1 (0.67) | ITGB1ITGA4PSMB5MRGPRX4LMNA | |
| SCHEMBL21581968 | 0.78 | ITGB1 (0.67) | ITGB1ITGA4PSMB5MRGPRX4LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100503572-C | Caspase inhibitors and uses thereof | VERTEX PHARMA (US) | 2009-06-24 | — | — | CN | disclosed |
| CN-1675184-A | Caspase inhibitors and uses thereof | VERTEX PHARMA (US) | 2005-09-28 | — | — | CN | disclosed |