Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 15/20 | 0.41 |
| ▸ | ITGB1 | P05556 | 4/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10947130 | 1.00 | ITGA4 (0.41) | ITGA4ITGB1MAOB | |
| SCHEMBL10939289 | 0.93 | ITGA4 (0.41) | ITGA4ITGB1MAOB | |
| SCHEMBL11349836 | 0.82 | LTA4H (0.45) | MAOB | |
| SCHEMBL11357211 | 0.78 | PSMB10 (0.44) | — | |
| SCHEMBL10939294 | 0.77 | OPRD1 (0.43) | ITGA4ITGB1 | |
| SCHEMBL11525876 | 0.76 | PSMB1 (0.50) | — | |
| SCHEMBL5719618 | 0.76 | ITGA4 (0.48) | ITGA4ITGB1 | |
| SCHEMBL5719732 | 0.76 | ITGA4 (0.48) | ITGA4ITGB1 | |
| SCHEMBL10945240 | 0.76 | REN (0.53) | ITGA4ITGB1 | |
| SCHEMBL11349851 | 0.75 | LTA4H (0.48) | MAOB |
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 |
|---|---|---|---|---|---|---|---|
| US-4534897-A | Piperazinone, piperazine, 1,4-diazepin-2-one and 1,4-diazepine intermediate compounds | THE UPJOHN COMPANY (US) | 1985-08-13 | — | — | US | disclosed |
| US-4251438-A | ANALGESICS, PSYCHOTHERAPEUTIC AGENTS | THE UPJOHN COMPANY (US) | 1981-02-17 | — | — | US | disclosed |