Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.41 |
| ▸ | CA9 | Q16790 | 5/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.35 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.35 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.35 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.35 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31089799 | 0.81 | CA12 (0.51) | CA12CA9GRM2KCNA3PIM1 | |
| SCHEMBL20839408 | 0.77 | CA12 (0.69) | CA12CA9KMT2AKDM4EALDH1A1 | |
| SCHEMBL30228226 | 0.77 | CA12 (0.69) | CA12CA9KMT2AKDM4EALDH1A1 | |
| SCHEMBL30227956 | 0.77 | CA12 (0.48) | CA12CA9GRM2KCNA3PIM1 | |
| SCHEMBL30228177 | 0.77 | KDM4E (0.49) | CA12CA9GRM2KCNA3PIM1 | |
| SCHEMBL30228096 | 0.77 | CA12 (0.48) | CA12CA9KCNA3MEN1KMT2A | |
| SCHEMBL27943249 | 0.77 | CA12 (0.43) | CA12CA9KCNA3ALOX5MEN1 | |
| SCHEMBL30228063 | 0.75 | CA12 (0.46) | CA12CA9GRM2KCNA3PIM1 | |
| SCHEMBL30228316 | 0.74 | SLC18A1 (0.47) | CA12CA9KCNA3MEN1KMT2A | |
| SCHEMBL30227943 | 0.74 | CA12 (0.45) | CA12CA9GRM2KCNA3PIM1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3684762-A1 | COUMARIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF FOR THE TREATMENT OF CANCER | Lead Discovery Center GmbH (DE) | 2020-07-29 | — | — | EP | disclosed |
| WO-2019057821-A1 | COUMARIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF FOR THE TREATMENT OF CANCER | LEAD DISCOVERY CENTER GMBH (DE) | 2019-03-28 | — | — | WO | disclosed |