Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | FES | P07332 | 1/20 | 0.46 |
| ▸ | RET | P07949 | 1/20 | 0.46 |
| ▸ | MARK3 | P27448 | 1/20 | 0.46 |
| ▸ | TYK2 | P29597 | 1/20 | 0.46 |
| ▸ | FLT4 | P35916 | 1/20 | 0.46 |
| ▸ | SYK | P43405 | 1/20 | 0.46 |
| ▸ | CLK2 | P49760 | 1/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | RAD52 | P43351 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5361875 | 0.87 | CYP1A2 (0.75) | CYP1A2CYP2D6CHRM2ALDH1A1LTA4H | |
| SCHEMBL318675 | 0.82 | CYP1A2 (0.58) | CYP1A2CYP2D6CHRM2ALDH1A1LTA4H | |
| SCHEMBL28547031 | 0.78 | CYP1A2 (0.62) | CYP1A2CYP2D6CHRM2ALDH1A1LTA4H | |
| SCHEMBL11700378 | 0.76 | FES (0.76) | RECQLFESRETMARK3TYK2 | |
| SCHEMBL19031318 | 0.75 | CYP1A2 (0.83) | CYP1A2CYP2D6CHRM2ALDH1A1LTA4H | |
| SCHEMBL29875178 | 0.75 | CYP1A2 (0.83) | CYP1A2CYP2D6CHRM2ALDH1A1LTA4H | |
| SCHEMBL27755756 | 0.75 | — | — | |
| SCHEMBL2861457 | 0.74 | CYP1A2 (1.00) | CYP1A2CYP2D6CHRM2ALDH1A1LTA4H | |
| Hydrochloric Acid SCHEMBL8725767 | 0.74 | CYP1A2 (0.62) | CYP1A2CYP2D6CHRM2ALDH1A1LTA4H | |
| Hydrochloric Acid SCHEMBL28905019 | 0.73 | CYP1A2 (0.67) | CYP1A2CYP2D6CHRM2ALDH1A1LTA4H |
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 |
|---|---|---|---|---|---|---|---|
| EP-0535227-A1 | N-SUBSTITUTED HETEROCYCLIC AMIDINE DERIVATIVE | NIPPON SODA CO., LTD. (JP) | 1993-04-07 | — | — | EP | disclosed |