Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | TYK2 | P29597 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 3/20 | 0.39 |
| ▸ | PARP1 | P09874 | 8/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5599187 | 0.85 | HTR1A (0.41) | HTR1APARP1KDM4E | |
| Hydrochloric Acid SCHEMBL27801407 | 0.84 | HTR1A (0.40) | HTR1APARP1KDM4E | |
| SCHEMBL20822489 | 0.82 | CYP11B1 (0.42) | CYP11B1CYP11B2JAK2JAK1TYK2 | |
| SCHEMBL5599730 | 0.79 | PARP1 (0.40) | CYP11B1CYP11B2JAK2JAK1TYK2 | |
| SCHEMBL17185049 | 0.74 | PARP1 (0.46) | CYP11B1CYP11B2PARP1 | |
| SCHEMBL2976919 | 0.74 | KDM4E (0.45) | HTR1APARP1KDM4EALDH1A1 | |
| SCHEMBL28470220 | 0.74 | MAPK1 (0.39) | CYP11B1CYP11B2JAK2JAK1TYK2 | |
| SCHEMBL20822490 | 0.74 | PARP1 (0.43) | CYP11B1CYP11B2PARP1 | |
| SCHEMBL16956335 | 0.73 | GABRA1 (0.41) | — | |
| SCHEMBL27811001 | 0.73 | BID (0.40) | HTR1A |
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 |