Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 2/20 | 0.44 |
| ▸ | ITGAV | P06756 | 2/20 | 0.44 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.41 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 3/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | TYR | P14679 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL14431256 | 1.00 | ITGB3 (0.44) | ITGB3ITGAVITGA4ITGB7LCK | |
| SCHEMBL27573951 | 0.88 | ALDH1A1 (0.46) | TACR1CTSKALDH1A1KDM4EGAA | |
| SCHEMBL5787697 | 0.88 | ALDH1A1 (0.46) | TACR1CTSKALDH1A1KDM4EGAA | |
| SCHEMBL1377336 | 0.82 | ITGA4 (0.50) | ITGB3ITGAVITGA4ITGB7LCK | |
| SCHEMBL8327086 | 0.82 | ITGA4 (0.50) | ITGB3ITGAVITGA4ITGB7LCK | |
| SCHEMBL14431790 | 0.80 | ITGB3 (0.40) | ITGB3ITGAVTACR1CTSKALDH1A1 | |
| SCHEMBL5122384 | 0.79 | KLK5 (0.51) | ITGB3LCKCTSK | |
| SCHEMBL5122389 | 0.79 | KLK5 (0.51) | ITGB3LCKCTSK | |
| SCHEMBL14576986 | 0.76 | LCK (0.52) | LCKEGFRTACR1CTSKALDH1A1 | |
| SCHEMBL8254848 | 0.76 | LCK (0.52) | LCKEGFRTACR1CTSKALDH1A1 |
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 4 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 |
| US-6849646-B1 | Chromenone and chromanone derivatives as integrin inhibitors | MERCK PATENT GMBH (DE) | 2005-02-01 | — | — | US | 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 |