Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 5/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.35 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 3/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29393116 | 1.00 | AAK1 (0.46) | AAK1CYP17A1RXFP1KCNQ4KCNQ5 | |
| SCHEMBL29952152 | 0.88 | CYP17A1 (0.42) | AAK1CYP17A1RXFP1KCNQ4KCNQ5 | |
| SCHEMBL31736070 | 0.82 | AAK1 (0.52) | AAK1CYP17A1RXFP1KCNQ4KCNQ5 | |
| SCHEMBL25159676 | 0.82 | AAK1 (0.46) | AAK1CYP17A1RXFP1KCNQ4KCNQ5 | |
| SCHEMBL29395253 | 0.82 | AAK1 (0.46) | AAK1CYP17A1RXFP1KCNQ4KCNQ5 | |
| SCHEMBL29954656 | 0.80 | KCNQ4 (0.46) | CYP17A1RXFP1KCNQ4KCNQ5HTT | |
| SCHEMBL29071965 | 0.80 | AAK1 (0.45) | AAK1CYP17A1RXFP1KCNQ4KCNQ5 | |
| SCHEMBL29071984 | 0.80 | AAK1 (0.47) | AAK1CYP17A1RXFP1KCNQ4KCNQ5 | |
| SCHEMBL29393326 | 0.80 | AAK1 (0.47) | AAK1CYP17A1RXFP1KCNQ4KCNQ5 | |
| SCHEMBL12121804 | 0.79 | HDAC1 (0.43) | RXFP1NPC1RAB9ASMN1; SMN2ERN1 |
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-116745269-A | Dihydroquinazolin-2-one derivatives as selective cytotoxic agents for the treatment of HIV | 默沙东有限责任公司 | 2023-09-12 | — | — | CN | disclosed |