Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 6/20 | 0.43 |
| ▸ | BRD4 | O60885 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 3/20 | 0.31 |
| ▸ | MAOB | P27338 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28821790 | 1.00 | PARP1 (0.43) | PARP1BRD4TDP1SMN1; SMN2DHFR | |
| SCHEMBL10959200 | 0.76 | PARP1 (0.41) | PARP1TDP1SMN1; SMN2ALDH1A1GAA | |
| SCHEMBL10959206 | 0.76 | PARP1 (0.41) | PARP1TDP1SMN1; SMN2ALDH1A1GAA | |
| SCHEMBL15667350 | 0.74 | PARP1 (0.43) | PARP1BRD4TDP1SMN1; SMN2DHFR | |
| SCHEMBL15667115 | 0.74 | PARP1 (0.43) | PARP1BRD4TDP1SMN1; SMN2DHFR | |
| SCHEMBL15758217 | 0.74 | PARP1 (0.40) | PARP1BRD4TDP1SMN1; SMN2DHFR | |
| SCHEMBL15667117 | 0.74 | PARP1 (0.43) | PARP1BRD4TDP1SMN1; SMN2DHFR | |
| SCHEMBL7826166 | 0.73 | ALDH1A1 (0.47) | PARP1BRD4TDP1SMN1; SMN2DHFR | |
| SCHEMBL8939924 | 0.72 | PARP1 (0.52) | PARP1TDP1ALDH1A1GAA | |
| SCHEMBL15667201 | 0.71 | GPR35 (0.43) | PARP1TDP1ALDH1A1MAOA |
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-104854101-B | Alk kinase inhibitors | 上海复尚慧创医药研究有限公司 | 2018-05-01 | — | — | CN | disclosed |
| CN-104854101-A | Alk kinase inhibitors | SHANGHAI FOCHON PHARMACEUTICAL CO LTD | 2015-08-19 | — | — | CN | disclosed |