Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | MAT2A | P31153 | 2/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.30 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6827385 | 0.76 | MTOR (0.35) | CYP1B1 | |
| SCHEMBL9765298 | 0.71 | CA1 (0.45) | CYP1B1 | |
| SCHEMBL18696087 | 0.69 | CYP1B1 (0.46) | CYP1B1 | |
| SCHEMBL6827239 | 0.67 | CYP1B1 (0.43) | CYP1B1 | |
| SCHEMBL6922673 | 0.67 | NR2E1 (0.36) | CYP1B1 | |
| SCHEMBL6827665 | 0.66 | CYP1B1 (0.41) | CYP1B1EPHX2 | |
| SCHEMBL6824341 | 0.66 | ALDH1A1 (0.45) | CYP1B1 | |
| SCHEMBL6827379 | 0.65 | CYP1B1 (0.54) | CYP1B1 | |
| SCHEMBL6824269 | 0.65 | CYP1B1 (0.40) | CYP1B1 | |
| SCHEMBL6827603 | 0.65 | TDP1 (0.49) | CYP1B1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004050624-A1 | SUBSTITUTED 1H-PYRIDINE-2-ONE DERIVATIVES | C & C RESEARCH LABORATORIES (KR) | 2004-06-17 | — | — | WO | disclosed |