Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 4/20 | 0.60 |
| ▸ | GSK3B | P49841 | 4/20 | 0.60 |
| ▸ | MGLL | Q99685 | 6/20 | 0.59 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA4 | P22748 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 4/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL19419960 | 0.79 | GSK3A (0.66) | GSK3AGSK3BMGLLCA1CA2 | |
| SCHEMBL4418547 | 0.78 | CASP3 (0.59) | CA1CA2CA4CA9ALDH1A1 | |
| SCHEMBL20251099 | 0.76 | MGLL (0.66) | GSK3AGSK3BMGLLCA1CA2 | |
| SCHEMBL7542262 | 0.76 | MGLL (0.66) | GSK3AGSK3BMGLLCA1CA2 | |
| SCHEMBL14677902 | 0.76 | MGLL (0.66) | GSK3AGSK3BMGLLCA1CA2 | |
| SCHEMBL23926407 | 0.76 | MGLL (0.66) | GSK3AGSK3BMGLLCA1CA2 | |
| SCHEMBL21291908 | 0.76 | MGLL (0.66) | GSK3AGSK3BMGLLCA1CA2 | |
| SCHEMBL3381344 | 0.75 | GSK3A (1.00) | GSK3AGSK3BMGLLCA1CA2 | |
| SCHEMBL211905 | 0.75 | GSK3A (1.00) | GSK3AGSK3BMGLLCA1CA2 | |
| SCHEMBL28234264 | 0.75 | GSK3A (1.00) | GSK3AGSK3BMGLLCA1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4275759-A2 | QUINOLINE DERIVATIVES AS CHROMOBOX (CBX) PROTEIN INHIBITORS FOR TREATING CANCER | Dana-Farber Cancer Institute, Inc. (US) | 2023-11-15 | — | — | EP | disclosed |
| EP-3515449-B1 | QUINOLINE DERIVATIVES AS CHROMOBOX (CBX) PROTEIN INHIBITORS FOR TREATING CANCER | DANA FARBER CANCER INST INC (US) | 2023-07-12 | — | — | EP | disclosed |
| WO-2018058029-A1 | CHROMOBOX PROTEIN INHIBITORS AND USES THEREOF | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2018-03-29 | — | — | WO | disclosed |