Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.78 |
| ▸ | CES2 | O00748 | 1/20 | 0.57 |
| ▸ | CES1 | P23141 | 1/20 | 0.57 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.54 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.54 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 5/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.53 |
| ▸ | STS | P08842 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.51 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.51 |
| ▸ | TNKS | O95271 | 1/20 | 0.51 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.51 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.51 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.48 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29503138 | 0.88 | PARP1 (1.00) | PARP1CES2CES1PRSS1PRSS2 | |
| SCHEMBL283787 | 0.88 | PARP1 (1.00) | PARP1CES2CES1PRSS1PRSS2 | |
| Acetic Acid SCHEMBL4630445 | 0.87 | PARP1 (0.89) | PARP1CES2CES1PRSS1PRSS2 | |
| Hydrochloric Acid SCHEMBL407554 | 0.87 | PARP1 (0.96) | PARP1CES2CES1PRSS1PRSS2 | |
| Hydrochloric Acid SCHEMBL4377519 | 0.87 | PARP1 (0.96) | PARP1CES2CES1PRSS1PRSS2 | |
| 1,3-Dimethoxybenzene SCHEMBL11452224 | 0.85 | LMNA (0.58) | PARP1CES2CES1NPC1RAB9A | |
| Trifluoroacetic Acid SCHEMBL12480668 | 0.84 | PARP1 (0.54) | PARP1PARP10PARP2TNKSPARP15 | |
| Trifluoroacetic Acid SCHEMBL29713373 | 0.83 | PARP1 (0.59) | PARP1CES1TSHRPARP10PARP2 | |
| Trifluoroacetic Acid SCHEMBL10277408 | 0.83 | PARP1 (0.59) | PARP1CES1TSHRPARP10PARP2 | |
| Terephthalamic Acid SCHEMBL7678892 | 0.83 | 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-104903300-B | COMT inhibitor | 霍夫曼-拉罗奇有限公司 | 2018-04-17 | — | — | CN | claimed |