Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.44 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.44 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.38 |
| ▸ | ADH5 | P11766 | 2/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 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 | |
|---|---|---|---|---|
| SCHEMBL3695247 | 0.73 | VHL (0.31) | MAPT | |
| SCHEMBL16673120 | 0.69 | CYP3A4 (0.62) | CYP3A4LMNAMAPTENPP2MKNK1 | |
| SCHEMBL2532397 | 0.69 | LMNA (0.78) | CYP3A4LMNAMAPTENPP2MKNK1 | |
| Hydrochloric Acid SCHEMBL28701756 | 0.68 | LMNA (0.75) | CYP3A4LMNAMAPTENPP2MKNK1 | |
| SCHEMBL22402234 | 0.67 | CYP3A4 (0.53) | CYP3A4LMNAMAPTENPP2MKNK1 | |
| SCHEMBL3250899 | 0.66 | CYP3A4 (0.71) | CYP3A4LMNAMAPTENPP2MKNK1 | |
| SCHEMBL161573 | 0.65 | CYP3A4 (0.63) | CYP3A4LMNAMAPTENPP2MKNK1 | |
| SCHEMBL242819 | 0.65 | CYP3A4 (0.47) | CYP3A4LMNAMAPTENPP2MKNK1 | |
| SCHEMBL18228239 | 0.65 | CYP3A4 (0.52) | CYP3A4LMNAMAPTENPP2MKNK1 | |
| SCHEMBL3527180 | 0.65 | CYP3A4 (0.38) | CYP3A4LMNAMAPTENPP2MKNK1 |
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-107629059-B | Compounds useful as inhibitors of ATR kinase | 沃泰克斯药物股份有限公司 | 2020-07-28 | — | — | CN | disclosed |