Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 12/20 | 0.38 |
| ▸ | CTSK | P43235 | 10/20 | 0.38 |
| ▸ | CTSL | P07711 | 2/20 | 0.36 |
| ▸ | CTSB | P07858 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL30784974 | 0.82 | CTSS (0.35) | CTSSCTSKCTSLCTSBCYP2D6 | |
| SCHEMBL9585490 | 0.79 | EPHX2 (0.40) | CTSSCTSKCTSLCTSBEPHX2 | |
| SCHEMBL14604888 | 0.78 | HAO1 (0.41) | CTSSCTSKEPHX2 | |
| SCHEMBL28508164 | 0.78 | MCL1 (0.39) | CTSSCTSKCTSLCTSB | |
| SCHEMBL7618289 | 0.78 | EPHX2 (0.38) | EPHX2CYP2D6HDAC3HDAC1HDAC2 | |
| SCHEMBL9198764 | 0.77 | MEN1 (0.37) | CTSSCTSKCTSLCTSBEPHX2 | |
| SCHEMBL1563570 | 0.77 | HAO1 (0.48) | — | |
| SCHEMBL28792442 | 0.77 | EPHX2 (0.35) | EPHX2CYP2D6HDAC3HDAC1HDAC2 | |
| SCHEMBL10595444 | 0.75 | HAO1 (0.52) | — | |
| SCHEMBL1562138 | 0.75 | HAO1 (0.52) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117904066-A | Recombinant carbonyl reductase mutant and application thereof in catalytic synthesis of chiral alcohol | 浙江工业大学 | 2024-04-19 | — | — | CN | claimed |
| CN-117904066-A | Recombinant carbonyl reductase mutant and application thereof in catalytic synthesis of chiral alcohol | 浙江工业大学 | 2024-04-19 | — | — | CN | disclosed |
| CN-113652407-B | Carbonyl reductase mutant and application thereof in asymmetric synthesis of chiral compound | 浙江工业大学 | 2024-01-16 | — | — | CN | disclosed |
| WO-2023034290-A1 | NAPHTHYRIDINE COMPOUNDS AS INHIBITORS OF KRAS | INCYTE CORPORATION (US) | 2023-03-09 | — | — | WO | disclosed |
| WO-2023283213-A1 | TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS | INCYTE CORPORATION (US) | 2023-01-12 | — | — | WO | disclosed |
| CN-113652407-A | Carbonyl reductase mutant and application thereof in asymmetric synthesis of bi-chiral compound | 浙江工业大学 | 2021-11-16 | — | — | CN | disclosed |
| WO-2021211864-A1 | FUSED TRICYCLIC KRAS INHIBITORS | INCYTE CORPORATION (US) | 2021-10-21 | — | — | WO | disclosed |