Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 5/20 | 0.37 |
| ▸ | CTSG | P08311 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | MPI | P34949 | 1/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 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 | 0.88 | TDP1 (0.39) | ELANECTSGALDH1A1HPGDMEN1 | |
| SCHEMBL7120085 | 0.86 | ELANE (0.39) | ELANECTSGALDH1A1HPGDMEN1 | |
| SCHEMBL7119783 | 0.80 | ALDH1A1 (0.40) | ALDH1A1HPGDMEN1KMT2AMAPT | |
| SCHEMBL22000513 | 0.69 | CYP1B1 (0.43) | ALDH1A1HPGDMEN1KMT2AMAPT | |
| SCHEMBL7120059 | 0.69 | ALDH1A1 (0.41) | ELANECTSGALDH1A1HPGDMEN1 | |
| SCHEMBL6759445 | 0.66 | HTR2A (0.39) | ELANECTSGCYP1A2CYP2C19BCHE | |
| SCHEMBL28161310 | 0.66 | CYP1A2 (0.31) | CYP1A2CYP2C19 | |
| SCHEMBL19895278 | 0.66 | PARP1 (0.54) | ELANECTSGALDH1A1HPGDMEN1 | |
| SCHEMBL11690554 | 0.65 | ALDH1A1 (0.47) | ELANECTSGALDH1A1HPGDCYP1B1 | |
| SCHEMBL7130502 | 0.65 | ALDH1A1 (0.40) | ALDH1A1HPGDMEN1KMT2AMAPT |
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 |