Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 5/20 | 0.38 |
| ▸ | CTSG | P08311 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | HPGD | P15428 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7120085 | 0.93 | ELANE (0.39) | TDP1ELANECTSGALDH1A1HPGD | |
| SCHEMBL7118971 | 0.88 | ELANE (0.37) | TDP1ELANECTSGALDH1A1HPGD | |
| SCHEMBL7119783 | 0.79 | ALDH1A1 (0.40) | TDP1ALDH1A1HPGDMEN1MAPT | |
| SCHEMBL28174605 | 0.69 | PARP1 (0.51) | TDP1ELANECTSGMEN1MAPT | |
| SCHEMBL22000513 | 0.68 | CYP1B1 (0.43) | TDP1ALDH1A1HPGDMEN1MAPT | |
| SCHEMBL11692209 | 0.68 | ALDH1A1 (0.44) | TDP1ELANECTSGALDH1A1HPGD | |
| SCHEMBL7120059 | 0.68 | ALDH1A1 (0.41) | ELANECTSGALDH1A1HPGDMEN1 | |
| SCHEMBL2672463 | 0.67 | BCHE (0.41) | CYP3A4CYP2C9NR1H2NR1H3 | |
| SCHEMBL18554810 | 0.67 | CTRC (0.35) | ELANECTSGALDH1A1HPGDMAPT | |
| SCHEMBL8564246 | 0.67 | TLR8 (0.44) | TDP1CYP3A4TLR8CYP2C9 |
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 |