Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 5/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 6/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9835806 | 0.88 | MAOB (0.42) | MAOBMAPK1CNR2KEAP1NFE2L2 | |
| SCHEMBL10425135 | 0.86 | MAOB (0.40) | MAOBMAPK1CNR2KEAP1NFE2L2 | |
| SCHEMBL9827695 | 0.85 | MMP2 (0.43) | MAOBMAPK1CNR2KEAP1NFE2L2 | |
| SCHEMBL10425237 | 0.84 | MMP2 (0.42) | MAOBKEAP1NFE2L2MMP2MMP9 | |
| SCHEMBL10425256 | 0.84 | MMP2 (0.42) | MAOBMAPK1CNR2KEAP1NFE2L2 | |
| SCHEMBL10426379 | 0.81 | MMP2 (0.43) | MAOBMAPK1CNR2KEAP1NFE2L2 | |
| SCHEMBL10426243 | 0.79 | KEAP1 (0.42) | MAOBMAPK1CNR2KEAP1NFE2L2 | |
| SCHEMBL9837228 | 0.77 | KEAP1 (0.41) | MAOBMAPK1CNR2KEAP1NFE2L2 | |
| SCHEMBL9837069 | 0.77 | MAPK1 (0.56) | MAOBMAPK1ACHE | |
| SCHEMBL9835704 | 0.72 | MAOB (0.46) | MAOBMAPK1KEAP1NFE2L2ACHE |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0215319-B1 | GEM-DIHALO-1,8-DIAMINO-4-AZA-OCTANES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-10-16 | — | — | EP | disclosed |
| US-4914240-A | PROTECTING DIHALO BUTANEDIOL, REACTING WITH POTASSIUM PHTHALIMINDE, DEPROTECTING; MULTISTEP | MERRELL DOW PHARMACEUTICALS INC. (US) | 1990-04-03 | — | — | US | disclosed |
| US-4851448-A | Gem-dihalo-1,8-diamino-4-aza-octanes | MERRELL DOW PHARMACEUTICALS INC. (US) | 1989-07-25 | — | — | US | disclosed |
| US-4695654-A | ANTITUMOR AGENTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1987-09-22 | — | — | US | disclosed |
| EP-0215319-A2 | Gem-dihalo-1,8-diamino-4-aza-octanes | MERRELL DOW PHARMACEUTICALS INC. (US) | 1987-03-25 | — | — | EP | disclosed |