Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | CASP3 | P42574 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 5/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30445427 | 0.79 | MAPK1 (0.53) | MAPK1CASP3TDP1L3MBTL1MAOB | |
| SCHEMBL9055931 | 0.78 | RAB9A (0.42) | CASP3TDP1L3MBTL1GABRA1GABRG2 | |
| SCHEMBL9836693 | 0.78 | MAPK1 (0.52) | MAPK1CASP3TDP1L3MBTL1GABRA1 | |
| SCHEMBL816698 | 0.77 | MAPK1 (0.57) | MAPK1CASP3TDP1L3MBTL1MAOB | |
| SCHEMBL9835120 | 0.77 | MAOB (0.43) | MAPK1MAOBACHE | |
| SCHEMBL7871593 | 0.76 | MAPK1 (0.45) | MAPK1CASP3TDP1L3MBTL1MAOB | |
| SCHEMBL8675566 | 0.76 | TDP1 (0.51) | MAPK1CASP3TDP1L3MBTL1MAOB | |
| SCHEMBL9827776 | 0.76 | GLS (0.50) | CASP3RAB9ASMN1; SMN2 | |
| SCHEMBL6043712 | 0.75 | MAPT (0.64) | MAPK1CASP3TDP1L3MBTL1MAOB | |
| SCHEMBL22420971 | 0.74 | GBA1 (0.42) | MAPK1TDP1L3MBTL1MAPTRAB9A |
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 |