Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD38 | P28907 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30601234 | 1.00 | CD38 (0.41) | CD38EPHX2RIPK1ABL1SRC | |
| SCHEMBL1536687 | 0.85 | SMN1; SMN2 (0.51) | RIPK1MAPTALDH1A1LMNAGAA | |
| SCHEMBL1536744 | 0.84 | MAPT (0.53) | MAPTALDH1A1LMNAGAATSHR | |
| SCHEMBL27118027 | 0.84 | ALOX15 (0.42) | ALDH1A1LMNAGAAHPGDALOX15 | |
| Hydrochloric Acid SCHEMBL27153929 | 0.83 | ALOX15 (0.41) | ALDH1A1LMNAGAAHPGDALOX15 | |
| SCHEMBL30601246 | 0.82 | ALDH1A1 (0.44) | MAPTALDH1A1LMNAGAAADRA1D | |
| SCHEMBL30601271 | 0.81 | ASPH (0.44) | ALDH1A1LMNAGAAADRA1DADRA1A | |
| SCHEMBL30601248 | 0.81 | ALDH1A1 (0.44) | MAPTALDH1A1LMNAGAATSHR | |
| SCHEMBL1536721 | 0.80 | PKM (0.54) | MAPTALDH1A1LMNATSHRKMT2A | |
| SCHEMBL30601261 | 0.80 | GAA (0.44) | MAPTALDH1A1LMNAGAAADRA1D |
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-116514816-A | Pyrimidinone pyrrole derivative and preparation method and medical application thereof | 深圳信立泰药业股份有限公司 | 2023-08-01 | — | — | CN | disclosed |