Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 5/20 | 0.39 |
| ▸ | CTSG | P08311 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | BID | P55957 | 3/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.33 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.33 |
| ▸ | BAK1 | Q16611 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7127773 | 0.93 | TDP1 (0.39) | ELANECTSGTDP1NR1H2NR1H3 | |
| SCHEMBL7118971 | 0.86 | ELANE (0.37) | ELANECTSGTDP1MEN1KMT2A | |
| SCHEMBL7119783 | 0.77 | ALDH1A1 (0.40) | TDP1MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL87415 | 0.70 | ELANE (0.44) | ELANECTSGTDP1NR1H2NR1H3 | |
| SCHEMBL11884237 | 0.70 | ALDH1A1 (0.40) | MEN1KMT2AALDH1A1MAPTHPGD | |
| SCHEMBL1325541 | 0.69 | RAB9A (0.44) | MEN1KMT2AALDH1A1MAPTHPGD | |
| SCHEMBL19436979 | 0.69 | PARP1 (0.50) | ELANECTSGTDP1NR1H2NR1H3 | |
| SCHEMBL28906696 | 0.69 | CES2 (0.34) | ELANECTSGTLR8KCNH2CES2 | |
| SCHEMBL28676696 | 0.69 | ALDH1A1 (0.42) | ELANECTSGTDP1NR1H2NR1H3 | |
| SCHEMBL29030849 | 0.68 | PARP1 (0.49) | ELANECTSGTDP1NR1H2NR1H3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6667303-B1 | Agonists for serotonin 5-hydroxytryptamine 2C(5HT2C) receptor; 6-(1,4-diazepan-1-yl)benzo(cd)indol-2(1H)-ones, 6-(1,4-diazepan-1-yl)acenaphthylen-1(2H)-ones, and 5-(1,4-diazepan-1-yl)- 2H-naphtho(1,8-cd)isothiazole-1,1-dioxides | WYETH | 2003-12-23 | — | — | US | disclosed |