Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL88831 | 0.81 | — | — | |
| SCHEMBL30051093 | 0.81 | — | — | |
| Azetidine SCHEMBL20336251 | 0.71 | ROCK1 (0.36) | CYP2A6CYP3A4 | |
| Pyridine SCHEMBL28219020 | 0.71 | TSHR (0.45) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL4767521 | 0.69 | — | — | |
| SCHEMBL1254977 | 0.69 | FBP1 (0.41) | POLBKDM4EHSD17B10 | |
| SCHEMBL22395 | 0.69 | — | — | |
| Pyrimidine SCHEMBL28088660 | 0.68 | CYP2A6 (0.41) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6 | |
| Pyridine SCHEMBL28928518 | 0.67 | TDO2 (0.37) | TRPM5KDM4EHSD17B10 | |
| SCHEMBL18247606 | 0.66 | — | — |
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-108329460-B | Photodynamic bactericidal polymer and preparation method and application thereof | 山西大学 | 2020-01-03 | — | — | CN | disclosed |