Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 9/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16884624 | 0.90 | PARP1 (0.41) | PARP1PARP2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5599182 | 0.86 | KDM4E (0.44) | PARP1KDM4EPARP2 | |
| SCHEMBL20822490 | 0.81 | PARP1 (0.43) | PARP1CYP11B1CYP11B2OPRL1MAOA | |
| SCHEMBL364173 | 0.81 | ADRA1A (0.46) | PARP1CYP11B1CYP11B2KDM4EALDH1A1 | |
| SCHEMBL31748898 | 0.80 | CYP11B1 (0.43) | PARP1CYP11B1CYP11B2OPRL1KDM4E | |
| SCHEMBL5599734 | 0.79 | CYP11B1 (0.41) | PARP1CYP11B1CYP11B2KDM4EALDH1A1 | |
| SCHEMBL26162668 | 0.78 | OPRL1 (0.33) | OPRL1MAOASLC6A4 | |
| SCHEMBL1514834 | 0.76 | NOTUM (0.43) | KDM4EALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL45719 | 0.75 | PARP1 (0.51) | PARP1KDM4EALDH1A1PARP2SLC6A3 | |
| Fluoride SCHEMBL28693457 | 0.73 | PARP1 (0.47) | PARP1KDM4EALDH1A1PARP2SLC6A3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1740584-A1 | FUSED QUINOLINE DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005105802-A1 | FUSED QUINOLINE DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-11-10 | — | — | WO | disclosed |