Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA | P35790 | 7/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.37 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | FLT1 | P17948 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.33 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.33 |
| ▸ | CHKB | Q9Y259 | 1/20 | 0.33 |
| ▸ | CSF1R | P07333 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8050418 | 0.99 | CHKA (0.43) | CHKAROCK1CYP2A6GRM1CHRM5 | |
| SCHEMBL8053815 | 0.83 | ROCK1 (0.41) | CHKAROCK1CYP2A6PDGFRBPDGFRA | |
| SCHEMBL8051671 | 0.83 | GRM1 (0.34) | CHKAGRM1CHRM5LMNAMAPT | |
| Hydrochloric Acid SCHEMBL8057026 | 0.82 | ROCK1 (0.40) | CHKAROCK1CYP2A6PDGFRBPDGFRA | |
| SCHEMBL8050470 | 0.82 | ROCK1 (0.37) | CHKAROCK1CYP2A6LMNAMAPT | |
| Hydrochloric Acid SCHEMBL8054021 | 0.82 | GRM1 (0.34) | CHKAGRM1CHRM5LMNAMAPT | |
| Hydrochloric Acid SCHEMBL8051640 | 0.81 | ROCK1 (0.36) | CHKAROCK1CYP2A6LMNAMAPT | |
| SCHEMBL8056707 | 0.80 | SLC6A2 (0.41) | ROCK1CYP2A6LMNAMAPTSLC6A2 | |
| SCHEMBL8052621 | 0.80 | POLQ (0.39) | CHKACHRM5 | |
| Hydrochloric Acid SCHEMBL8038855 | 0.79 | SLC6A2 (0.40) | ROCK1CYP2A6LMNAMAPTSLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6022880-A | Substituted pyridylamino indoles | HOECHST MARION ROUSSEL, INC. (US) | 2000-02-08 | — | — | US | disclosed |