Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MALT1 | Q9UDY8 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CCR1 | P32246 | 2/20 | 0.39 |
| ▸ | IDH1 | O75874 | 5/20 | 0.36 |
| ▸ | IDH2 | P48735 | 4/20 | 0.36 |
| ▸ | MPI | P34949 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.32 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.31 |
| ▸ | CCR8 | P51685 | 1/20 | 0.31 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.31 |
| ▸ | TERT | O14746 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2515829 | 1.00 | MALT1 (0.42) | MALT1ALDH1A1CCR1IDH1IDH2 | |
| SCHEMBL25400523 | 0.80 | MALT1 (0.42) | MALT1ALDH1A1IDH1IDH2TAS2R14 | |
| SCHEMBL13306229 | 0.80 | ALDH1A1 (0.39) | ALDH1A1CCR1MPIKMT2AFGFR4 | |
| SCHEMBL29957074 | 0.80 | ALDH1A1 (0.39) | ALDH1A1CCR1MPIKMT2AFGFR4 | |
| SCHEMBL2051841 | 0.72 | — | — | |
| SCHEMBL12151205 | 0.72 | ALDH1A1 (0.47) | ALDH1A1MPIKMT2A | |
| SCHEMBL5261866 | 0.72 | MALT1 (0.39) | MALT1IDH1IDH2 | |
| SCHEMBL4585500 | 0.72 | CCR1 (0.46) | ALDH1A1CCR1MPIKMT2AFGFR4 | |
| SCHEMBL19067019 | 0.71 | KMT2A (0.40) | ALDH1A1MPIKMT2ANOS3NOS2 | |
| SCHEMBL21328933 | 0.70 | MALT1 (0.52) | MALT1IDH1IDH2CYP17A1TAS2R14 |
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-117597339-A | Aryl 3-oxo-piperazine carboxamides and heteroaryl 3-oxo-piperazine carboxamides as NAV1.8 inhibitors | 默沙东有限责任公司 | 2024-02-23 | — | — | CN | disclosed |