Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.73 |
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | CES1 | P23141 | 1/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.52 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.52 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.51 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.51 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | STS | P08842 | 2/20 | 0.50 |
| ▸ | TNKS | O95271 | 1/20 | 0.49 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.49 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.49 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.49 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.49 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL27764421 | 0.88 | PARP1 (0.73) | PARP1CES2CES1OPRM1PRSS1 | |
| SCHEMBL283787 | 0.86 | PARP1 (1.00) | PARP1CES2CES1PRSS1PRSS2 | |
| SCHEMBL29503138 | 0.86 | PARP1 (1.00) | PARP1CES2CES1PRSS1PRSS2 | |
| Hydrochloric Acid SCHEMBL407554 | 0.84 | PARP1 (0.96) | PARP1CES2CES1PRSS1PRSS2 | |
| Hydrochloric Acid SCHEMBL4377519 | 0.84 | PARP1 (0.96) | PARP1CES2CES1PRSS1PRSS2 | |
| Acetic Acid SCHEMBL4630445 | 0.81 | PARP1 (0.89) | PARP1CES2CES1PRSS1PRSS2 | |
| SCHEMBL7050338 | 0.80 | PARP1 (0.86) | PARP1CES2CES1PRSS1PRSS2 | |
| SCHEMBL30359132 | 0.79 | L3MBTL1 (0.58) | CES2CES1ALDH1A1 | |
| SCHEMBL28515342 | 0.78 | PARP1 (0.76) | PARP1CES2CES1OPRM1PRSS1 | |
| Terephthalamic Acid SCHEMBL7678892 | 0.77 | PARP1 (0.81) | PARP1CES2CES1PRSS1PRSS2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101448778-A | Inhibitors of POLO-like kinases | ABBOTT LAB (US) | 2009-06-03 | — | — | CN | disclosed |