Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA7 | P43166 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 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 | |
|---|---|---|---|---|
| SCHEMBL25814978 | 1.00 | TDP1 (0.36) | TDP1NPSR1TP53HTTKMT2A | |
| SCHEMBL24616284 | 0.90 | SOS1 (0.36) | NPSR1HTTKMT2AMEN1MAPT | |
| SCHEMBL25825000 | 0.89 | TDP1 (0.37) | TDP1NPSR1TP53HTTKMT2A | |
| SCHEMBL26967275 | 0.86 | TP53 (0.34) | TDP1NPSR1TP53HTTKMT2A | |
| SCHEMBL25820378 | 0.86 | ALDH1A1 (0.40) | TDP1KMT2AMEN1MAPTKDM4E | |
| SCHEMBL31551995 | 0.81 | SOS1 (0.33) | NPSR1HTTKMT2AMEN1MAPT | |
| SCHEMBL25994930 | 0.81 | TP53 (0.35) | TDP1NPSR1TP53HTTKMT2A | |
| SCHEMBL29071023 | 0.80 | TP53 (0.33) | TDP1NPSR1TP53HTTKMT2A | |
| SCHEMBL25815028 | 0.79 | CA12 (0.41) | TDP1NPSR1TP53HTTMAPT | |
| SCHEMBL29810959 | 0.78 | SOS1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022228568-A1 | PYRIDINO- OR PYRIMIDO-CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 劲方医药科技(上海)有限公司 | 2022-11-03 | — | — | WO | disclosed |