Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.31 |
| ▸ | FYN | P06241 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4855218 | 0.78 | ALDH1A1 (0.46) | CYP2A6CYP1A2ALDH1A1HIF1AHSD17B10 | |
| SCHEMBL29562021 | 0.74 | CYP1A2 (0.47) | CYP2A6CYP1A2ALDH1A1HIF1AHSD17B10 | |
| SCHEMBL26028 | 0.74 | CYP1A2 (0.47) | CYP2A6CYP1A2ALDH1A1HIF1AHSD17B10 | |
| SCHEMBL4847753 | 0.74 | ALDH1A1 (0.42) | CYP1A2ALDH1A1HIF1AHSD17B10CYP1B1 | |
| Triphenylene SCHEMBL22493025 | 0.73 | CYP1A2 (0.46) | CYP1A2ALDH1A1HIF1AHSD17B10CYP1B1 | |
| SCHEMBL4847656 | 0.72 | ALDH1A1 (0.45) | CYP2A6CYP1A2ALDH1A1HIF1AHSD17B10 | |
| SCHEMBL8764916 | 0.71 | CYP1A2 (0.35) | CYP2A6CYP1A2 | |
| SCHEMBL4850338 | 0.71 | ALDH1A1 (0.48) | CYP2A6CYP1A2ALDH1A1HIF1AHSD17B10 | |
| SCHEMBL6545899 | 0.71 | ALDH1A1 (0.52) | CYP2A6CYP1A2ALDH1A1HIF1AHSD17B10 | |
| SCHEMBL4851809 | 0.71 | CYP1A2 (0.45) | CYP2A6CYP1A2ALDH1A1HIF1AHSD17B10 |
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-2069308-A2 | AZONAFIDE DERIVED TUMOR AND CANCER TARGETING COMPOUNDS | Government of the United States of America, Represented by the Secretary, Department of Health and Human Services (US) | 2009-06-17 | — | — | EP | disclosed |
| WO-2008033891-A2 | AZONAFIDE DERIVED TUMOR AND CANCER TARGETING COMPOUNDS | GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2008-03-20 | — | — | WO | disclosed |