Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 2/20 | 0.37 |
| ▸ | ITGAV | P06756 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | HPGD | P15428 | 4/20 | 0.34 |
| ▸ | GAA | P10253 | 4/20 | 0.34 |
| ▸ | CASP1 | P29466 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.32 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6493594 | 0.92 | ITGB3 (0.43) | ITGB3ITGAVKDM4EALDH1A1GAA | |
| SCHEMBL5204549 | 0.90 | ITGB3 (0.37) | ITGB3ITGAVALDH1A1KMT2ACTSK | |
| SCHEMBL6493907 | 0.83 | ITGB3 (0.42) | ITGB3ITGAV | |
| SCHEMBL5202544 | 0.80 | ITGB3 (0.31) | ITGB3ITGAV | |
| SCHEMBL6502342 | 0.73 | ITGB3 (0.36) | ITGB3ITGAVHSD17B10KMT2A | |
| SCHEMBL5205119 | 0.73 | ITGB3 (0.38) | ITGB3ITGAVKDM4EHPGDHSD17B10 | |
| SCHEMBL14431790 | 0.72 | ITGB3 (0.40) | ITGB3ITGAVALDH1A1HDAC1HDAC6 | |
| SCHEMBL5206885 | 0.69 | ITGB3 (0.44) | ITGB3ITGAVKDM4EALDH1A1HPGD | |
| SCHEMBL14431256 | 0.69 | ITGB3 (0.44) | ITGB3ITGAVKDM4EALDH1A1HPGD | |
| SCHEMBL4679583 | 0.66 | USP2 (0.39) | ITGB3ITGAVGAAHSD17B10KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1124824-B1 | CHROMENONE AND CHROMANONE DERIVATIVES AS INTEGRIN INHIBITORS | MERCK PATENT GMBH (DE) | 2007-08-22 | — | — | EP | disclosed |
| EP-1124824-A1 | CHROMENONE AND CHROMANONE DERIVATIVES AS INTEGRIN INHIBITORS | MERCK PATENT GmbH (DE) | 2001-08-22 | — | — | EP | disclosed |
| WO-2000026212-A1 | CHROMENONE AND CHROMANONE DERIVATIVES AS INTEGRIN INHIBITORS | MERCK PATENT GMBH (DE) | 2000-05-11 | — | — | WO | disclosed |