Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL9761268 | 0.76 | CYP1A2 (0.37) | ALDH1A1CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL9761709 | 0.72 | KMT2A (0.39) | ALDH1A1CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL1123936 | 0.70 | ALDH1A1 (0.63) | ALDH1A1CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL9761124 | 0.70 | KMT2A (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL9762560 | 0.70 | PIK3CB (0.49) | ALDH1A1CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL9762450 | 0.69 | CYP1A2 (0.56) | ALDH1A1CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL2466571 | 0.67 | MAPK1 (0.52) | ALDH1A1CYP1A2CYP2C9MAPTMAPK1 | |
| SCHEMBL29190669 | 0.67 | MAPK1 (0.52) | ALDH1A1CYP1A2CYP2C9MAPTMAPK1 | |
| SCHEMBL30833685 | 0.67 | MAPK1 (0.52) | ALDH1A1CYP1A2CYP2C9MAPTMAPK1 | |
| SCHEMBL10420191 | 0.67 | DYRK1A (0.42) | ALDH1A1CYP1A2CYP2C9CYP2C19HTT |
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 |
|---|---|---|---|---|---|---|---|
| US-5026694-A | Antitumor agents | THE BRITISH COLUMBIA CANCER FOUNDATION (CA) | 1991-06-25 | — | — | US | disclosed |