Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CTSB | P07858 | 3/20 | 0.47 |
| ▸ | CTSL | P07711 | 2/20 | 0.46 |
| ▸ | CTSS | P25774 | 2/20 | 0.46 |
| ▸ | CTSK | P43235 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 8/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28333188 | 0.86 | ALDH1A1 (0.57) | CYP1A2CYP2C9CTSBMAPTPKM | |
| SCHEMBL4001383 | 0.83 | CTSL (0.46) | CTSBCTSLCTSSCTSKMAPT | |
| SCHEMBL3984049 | 0.78 | CYP1A2 (0.54) | CYP1A2CYP2C9CTSBMAPTPKM | |
| SCHEMBL17651460 | 0.78 | ALDH1A1 (0.63) | CYP1A2CYP2C9CTSBMAPTPKM | |
| SCHEMBL3723155 | 0.78 | CYP1A2 (0.54) | CYP1A2CYP2C9CTSBMAPTPKM | |
| SCHEMBL30457932 | 0.78 | ALDH1A1 (0.63) | CYP1A2CYP2C9CTSBMAPTPKM | |
| SCHEMBL31226524 | 0.78 | CYP1A2 (0.54) | CYP1A2CYP2C9CTSBMAPTPKM | |
| SCHEMBL5235027 | 0.78 | ALDH1A1 (0.59) | CYP1A2CYP2C9CTSBMAPTPKM | |
| SCHEMBL249019 | 0.77 | ALDH1A1 (0.49) | CYP1A2CYP2C9CTSBMAPTPKM | |
| SCHEMBL1424205 | 0.76 | ALDH1A1 (0.50) | CYP1A2CYP2C9CTSBMAPTPKM |
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 |
|---|---|---|---|---|---|---|---|
| CN-104761541-A | Inhibitors of the Interaction Between MDM2 and P53 | JANSSEN PHARMACEUTICA NV | 2015-07-08 | — | — | CN | disclosed |