Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 4/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 7/20 | 0.45 |
| ▸ | BCHE | P06276 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9837228 | 0.84 | KEAP1 (0.41) | MAOBKEAP1NFE2L2NPSR1ALDH1A1 | |
| SCHEMBL10425135 | 0.83 | MAOB (0.40) | MAOBKEAP1NFE2L2ACHENPSR1 | |
| SCHEMBL21071153 | 0.81 | MAPT (0.54) | MAOBACHEMEN1KMT2ATDP1 | |
| SCHEMBL8269374 | 0.80 | TDP1 (0.53) | MAOBACHEMEN1KMT2ATDP1 | |
| SCHEMBL14764990 | 0.80 | TDP1 (0.53) | MAOBACHEMEN1KMT2ATDP1 | |
| SCHEMBL28598566 | 0.79 | MAPT (0.59) | MAOBNPSR1MEN1KMT2AHPGD | |
| SCHEMBL9827695 | 0.77 | MMP2 (0.43) | MAOBKEAP1NFE2L2NPSR1ALDH1A1 | |
| SCHEMBL14121528 | 0.77 | VDR (0.52) | MAOBNPSR1ALDH1A1TDP1HPGD | |
| SCHEMBL10770035 | 0.76 | VDR (0.55) | NPSR1ALDH1A1KMT2ALMNATDP1 | |
| SCHEMBL10425256 | 0.76 | MMP2 (0.42) | MAOBKEAP1NFE2L2NPSR1ALDH1A1 |
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-0215319-B1 | GEM-DIHALO-1,8-DIAMINO-4-AZA-OCTANES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-10-16 | — | — | EP | claimed |
| US-4914240-A | PROTECTING DIHALO BUTANEDIOL, REACTING WITH POTASSIUM PHTHALIMINDE, DEPROTECTING; MULTISTEP | MERRELL DOW PHARMACEUTICALS INC. (US) | 1990-04-03 | — | — | US | claimed |
| EP-0215319-A2 | Gem-dihalo-1,8-diamino-4-aza-octanes | MERRELL DOW PHARMACEUTICALS INC. (US) | 1987-03-25 | — | — | EP | claimed |