Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.76 |
| ▸ | CES2 | O00748 | 1/20 | 0.56 |
| ▸ | CES1 | P23141 | 1/20 | 0.56 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.53 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.53 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.53 |
| ▸ | STS | P08842 | 2/20 | 0.51 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.50 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.50 |
| ▸ | TNKS | O95271 | 1/20 | 0.50 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.50 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.50 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.47 |
| ▸ | CHRNG | P07510 | 1/20 | 0.47 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
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 | 0.87 | PARP1 (1.00) | PARP1CES2CES1PRSS1PRSS2 | |
| SCHEMBL283787 | 0.87 | PARP1 (1.00) | PARP1CES2CES1PRSS1PRSS2 | |
| Hydrochloric Acid SCHEMBL4377519 | 0.85 | PARP1 (0.96) | PARP1CES2CES1PRSS1PRSS2 | |
| Hydrochloric Acid SCHEMBL407554 | 0.85 | PARP1 (0.96) | PARP1CES2CES1PRSS1PRSS2 | |
| Acetic Acid SCHEMBL4630445 | 0.82 | PARP1 (0.89) | PARP1CES2CES1PRSS1PRSS2 | |
| SCHEMBL7050338 | 0.81 | PARP1 (0.86) | PARP1CES2CES1PRSS1PRSS2 | |
| SCHEMBL28503916 | 0.81 | PARP10 (0.72) | PARP1CES2CES1PRSS1PRSS2 | |
| Terephthalamic Acid SCHEMBL7678892 | 0.78 | PARP1 (0.81) | PARP1CES2CES1PRSS1PRSS2 | |
| SCHEMBL27764421 | 0.78 | PARP1 (0.73) | PARP1CES2CES1PRSS1PRSS2 | |
| SCHEMBL27764397 | 0.78 | PARP1 (0.73) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109762017-B | Preparation method of iron-catalyzed phosphazene compound | 大连理工大学 | 2021-06-18 | — | — | CN | disclosed |
| CN-112142792-A | Novel method for constructing nitrogen-phosphorus double bonds through visible light catalysis | 大连理工大学 | 2020-12-29 | — | — | CN | disclosed |