Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 5/20 | 0.46 |
| ▸ | CA2 | P00918 | 5/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.43 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL24672519 | 0.96 | TDP1 (0.48) | SIGMAR1CA1CA2TDP1BCHE | |
| SCHEMBL22880704 | 0.85 | NPC1 (0.52) | TDP1MEN1GAAKMT2A | |
| SCHEMBL29462507 | 0.85 | CA1 (0.44) | SIGMAR1CA1CA2TDP1MEN1 | |
| SCHEMBL17820830 | 0.85 | CA1 (0.44) | SIGMAR1CA1CA2TDP1MEN1 | |
| SCHEMBL24774561 | 0.85 | LMNA (0.49) | SIGMAR1CA1CA2TDP1BCHE | |
| SCHEMBL29855560 | 0.85 | LMNA (0.49) | SIGMAR1CA1CA2TDP1BCHE | |
| SCHEMBL13114820 | 0.83 | DRD2 (0.56) | SIGMAR1CA1CA2TDP1DRD2 | |
| SCHEMBL38652422 | 0.83 | AAK1 (0.44) | SIGMAR1CA1CA2TDP1MEN1 | |
| SCHEMBL22300216 | 0.83 | AAK1 (0.47) | SIGMAR1CA1CA2TDP1MEN1 | |
| SCHEMBL22040774 | 0.83 | DRD2 (0.45) | SIGMAR1CA1CA2TDP1BCHE |
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-114163445-B | Larotinib intermediate and preparation method thereof | 重庆医科大学 | 2023-06-20 | — | — | CN | disclosed |