Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.58 |
| ▸ | CA9 | Q16790 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | GPR3 | P46089 | 1/20 | 0.56 |
| ▸ | PARP1 | P09874 | 4/20 | 0.48 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.41 |
| ▸ | PARP11 | Q9NR21 | 2/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.39 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | TDP2 | O95551 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL31565696 | 0.77 | CA12 (0.54) | CA12CA9KDM4EPARP1PARP10 | |
| SCHEMBL29355184 | 0.76 | CA12 (1.00) | CA12CA9PARP1PARP10PARP11 | |
| SCHEMBL14896 | 0.76 | CA12 (1.00) | CA12CA9PARP1PARP10PARP11 | |
| SCHEMBL4818277 | 0.76 | CA12 (1.00) | CA12CA9PARP1PARP10PARP11 | |
| SCHEMBL27638376 | 0.76 | CA12 (0.70) | CA12CA9KDM4EPARP1PARP10 | |
| SCHEMBL8213864 | 0.75 | CA12 (0.95) | CA12CA9PARP1PARP10PARP11 | |
| Water SCHEMBL19462837 | 0.75 | CA12 (0.95) | CA12CA9PARP1PARP10PARP11 | |
| Hydrochloric Acid SCHEMBL5046932 | 0.75 | CA12 (0.95) | CA12CA9PARP1PARP10PARP11 | |
| SCHEMBL11354047 | 0.75 | CA12 (0.95) | CA12CA9PARP1PARP10PARP11 | |
| Water SCHEMBL19462703 | 0.75 | CA12 (0.95) | CA12CA9PARP1PARP10PARP11 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105764501-A | Compositions for improving the therapeutic benefit of bisantrene | 现代化制药公司 | 2016-07-13 | — | — | CN | disclosed |
| CN-105764502-A | Combination methods for improving the therapeutic benefit of bisantrene and analogs and derivatives thereof | 现代化制药公司 | 2016-07-13 | — | — | CN | disclosed |