Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | CXCR5 | P32302 | 5/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16507950 | 0.86 | TDP1 (0.46) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL14269556 | 0.84 | CD44 (0.43) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL4887591 | 0.82 | CD44 (0.45) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL16507744 | 0.81 | CD44 (0.41) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL18373856 | 0.80 | CYP1A2 (0.45) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL21779755 | 0.79 | TSHR (0.44) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL18373862 | 0.78 | CYP3A4 (0.35) | CD44CYP3A4TDP1TSHRCXCR5 | |
| SCHEMBL20124976 | 0.75 | ACHE (0.44) | CXCR5ALDH1A1 | |
| SCHEMBL19879756 | 0.75 | NPSR1 (0.45) | TDP1TSHRCXCR5ALDH1A1CYP1A2 | |
| SCHEMBL12666967 | 0.74 | CD44 (0.50) | CD44CYP3A4TDP1TSHRPIK3CA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3318557-A2 | QUINOLONE COMPOUND | Otsuka Pharmaceutical Co., Ltd. (JP) | 2018-05-09 | — | — | EP | disclosed |