Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 4/20 | 0.36 |
| ▸ | CASP7 | P55210 | 4/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.30 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.30 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10273862 | 1.00 | CASP3 (0.36) | CASP3CASP7NOS1PDK1PDK2 | |
| SCHEMBL21733403 | 1.00 | CASP3 (0.36) | CASP3CASP7NOS1PDK1PDK2 | |
| SCHEMBL23957329 | 1.00 | CASP3 (0.36) | CASP3CASP7NOS1PDK1PDK2 | |
| SCHEMBL24176145 | 1.00 | CASP3 (0.36) | CASP3CASP7NOS1PDK1PDK2 | |
| SCHEMBL18461688 | 0.85 | ALOX5 (0.33) | — | |
| SCHEMBL23158043 | 0.82 | NOS1 (0.30) | NOS1 | |
| SCHEMBL23158046 | 0.82 | NOS1 (0.30) | NOS1 | |
| SCHEMBL22062833 | 0.80 | — | — | |
| SCHEMBL24854605 | 0.80 | PDK1 (0.33) | PDK1 | |
| SCHEMBL22062975 | 0.79 | ALDH1A1 (0.39) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4223761-A1 | QUINAZOLINE COMPOUND AND APPLICATION THEREOF | Shanghai Pharmaceuticals Holding Co., Ltd. (CN) | 2023-08-09 | — | — | EP | disclosed |
| WO-2023125627-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND APPLICATION THEREOF | LYNK PHARMACEUTICALS CO., LTD. (CN) | 2023-07-06 | — | — | WO | disclosed |
| WO-2023086383-A1 | SELECT KRAS G12C INHIBITORS AND USES THEREOF | 1200 PHARMA LLC (US) | 2023-05-19 | — | — | WO | disclosed |
| WO-2022262797-A1 | COMBINATION OF AN ERK INHIBITOR AND A KRAS INHIBITOR AND USES THEREOF | SHANGHAI ANTENGENE CORPORATION LIMITED (CN) | 2022-12-22 | — | — | WO | disclosed |
| WO-2022266015-A1 | FUSED HETEROARYL COMPOUNDS USEFUL AS ANTICANCER AGENTS | KUMQUAT BIOSCIENCES INC. (US) | 2022-12-22 | — | — | WO | disclosed |
| WO-2020035031-A1 | FUSED RING COMPOUNDS | GENENTECH, INC. (US) | 2020-02-20 | — | — | WO | disclosed |