Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.30 |
| ▸ | HTR1D | P28221 | 1/20 | 0.30 |
| ▸ | HTR1B | P28222 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | HTR1E | P28566 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | HTR7 | P34969 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8050441 | 0.99 | ROCK1 (0.33) | ROCK1CYP2A6NOS3NOS1NOS2 | |
| SCHEMBL8050457 | 0.86 | ROCK1 (0.33) | ROCK1CYP2A6MAPK1 | |
| Hydrochloric Acid SCHEMBL8053571 | 0.85 | ROCK1 (0.33) | ROCK1CYP2A6MAPK1 | |
| SCHEMBL8050470 | 0.85 | ROCK1 (0.37) | ROCK1CYP2A6NOS3NOS1NOS2 | |
| SCHEMBL8050534 | 0.84 | ROCK1 (0.35) | ROCK1CYP2A6NOS3NOS1NOS2 | |
| Hydrochloric Acid SCHEMBL8051640 | 0.84 | ROCK1 (0.36) | ROCK1CYP2A6NOS3NOS1NOS2 | |
| Hydrochloric Acid SCHEMBL8056254 | 0.83 | ROCK1 (0.34) | ROCK1CYP2A6NOS3NOS1NOS2 | |
| SCHEMBL8056707 | 0.82 | SLC6A2 (0.41) | ROCK1CYP2A6NOS3NOS1NOS2 | |
| SCHEMBL8049114 | 0.82 | KIF11 (0.35) | — | |
| Hydrochloric Acid SCHEMBL8038855 | 0.81 | SLC6A2 (0.40) | ROCK1CYP2A6NOS3NOS1NOS2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6022880-A | Substituted pyridylamino indoles | HOECHST MARION ROUSSEL, INC. (US) | 2000-02-08 | — | — | US | disclosed |
| US-5328920-A | Alleviating memory dysfunctions | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1994-07-12 | — | — | US | disclosed |