Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 3/20 | 0.41 |
| ▸ | CTSS | P25774 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MLNR | O43193 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CTSD | P07339 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.37 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.37 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | CCNE1 | P24864 | 10/20 | 0.36 |
| ▸ | CDK2 | P24941 | 10/20 | 0.36 |
| ▸ | GSK3B | P49841 | 8/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31629846 | 1.00 | BCHE (0.43) | BCHECTSLCTSSSMN1; SMN2MLNR | |
| SCHEMBL30934674 | 0.84 | CTSL (0.41) | CTSLCTSSSMN1; SMN2MLNRABCB11 | |
| SCHEMBL23188170 | 0.82 | EPHX1 (0.46) | BCHEEPHX1CCNE1CDK2GSK3B | |
| SCHEMBL13951085 | 0.81 | CTSL (0.38) | CTSLCTSSMLNRABCB11LMNA | |
| SCHEMBL10141913 | 0.81 | CTSL (0.36) | CTSLCTSSMLNRABCB11LMNA | |
| SCHEMBL8923279 | 0.80 | CTSL (0.37) | CTSLCTSSMLNRABCB11LMNA | |
| SCHEMBL13127942 | 0.80 | CTSL (0.38) | CTSLCTSSMLNRABCB11LMNA | |
| SCHEMBL15373229 | 0.80 | CTSL (0.38) | CTSLCTSSMLNRABCB11LMNA | |
| SCHEMBL30519023 | 0.79 | EPHX1 (0.56) | BCHESMN1; SMN2LMNACYP3A4EPHX1 | |
| SCHEMBL13154796 | 0.79 | CTSL (0.37) | CTSLCTSSMLNRABCB11LMNA |
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-2023141852-A1 | CDK2 INHIBITORS, PREPARATION METHOD THEREFOR AND USE THEREOF | 益方生物科技(上海)股份有限公司 | 2023-08-03 | — | — | WO | disclosed |