Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.39 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | EGFR | P00533 | 2/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7904469 | 0.89 | ESR1 (0.45) | ALDH1A1TSHRCYP2D6AKR1C3KMT2A | |
| SCHEMBL2845203 | 0.85 | AKR1C1 (0.45) | ALDH1A1TSHRCYP2D6AKR1C3KMT2A | |
| SCHEMBL5709306 | 0.85 | ALDH1A1 (0.47) | ALDH1A1CYP2A6TSHRAKR1C3ALDH3A1 | |
| SCHEMBL4199808 | 0.82 | ESR1 (0.58) | CYP2D6KMT2AESR1MAPTMEN1 | |
| SCHEMBL2126763 | 0.78 | CYP1B1 (0.52) | ALDH1A1KMT2ALMNAMAPTMEN1 | |
| SCHEMBL305384 | 0.77 | CYP19A1 (0.50) | ALDH1A1CYP2D6KMT2AMAPTMEN1 | |
| Hydrochloric Acid SCHEMBL9803951 | 0.76 | CYP19A1 (0.49) | ALDH1A1CYP2D6KMT2AMAPTMEN1 | |
| SCHEMBL12172154 | 0.76 | ESR1 (0.64) | ALDH1A1CYP2A6TSHRESR1MAPT | |
| SCHEMBL27808829 | 0.75 | CYP1B1 (0.47) | ALDH1A1AKR1C3KMT2AEGFRMAPT | |
| Benzaldehyde SCHEMBL5458306 | 0.74 | ALDH1A1 (0.78) | ALDH1A1CYP2A6TSHRCYP2A13ALDH3A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6242477-B1 | RADIATING AND KILLING CANCER CELLS | CANON KABUSHIKI KAISHA (JP) | 2001-06-05 | — | — | US | disclosed |
| US-6124342-A | RADIATION THERAPY TO INDUCE DEATH OF THE CANCER CELLS | CANON KK (JP) | 2000-09-26 | — | — | US | disclosed |
| EP-0659407-A1 | Pharmaceutical compositions containing pyrylium compounds, pyrylium salts and process for manufacturing a medicament containing the aforesaid compounds | CANON KABUSHIKI KAISHA (JP) | 1995-06-28 | — | — | EP | disclosed |