Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.31 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CHKA | P35790 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CDC7 | O00311 | 1/20 | 0.31 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 SCHEMBL8051640 | 0.99 | ROCK1 (0.36) | ROCK1SLC6A2CYP2A6NOS3NOS1 | |
| SCHEMBL8056707 | 0.90 | SLC6A2 (0.41) | ROCK1SLC6A2CYP2A6NOS3NOS1 | |
| Hydrochloric Acid SCHEMBL8038855 | 0.89 | SLC6A2 (0.40) | ROCK1SLC6A2CYP2A6NOS3NOS1 | |
| SCHEMBL8039432 | 0.88 | SLC6A2 (0.37) | ROCK1SLC6A2CYP2A6MAPK1KDM4E | |
| Hydrochloric Acid SCHEMBL9425165 | 0.87 | SLC6A2 (0.37) | ROCK1SLC6A2CYP2A6MAPK1KDM4E | |
| SCHEMBL8050534 | 0.86 | ROCK1 (0.35) | ROCK1SLC6A2CYP2A6NOS3NOS1 | |
| SCHEMBL8053422 | 0.86 | ROCK1 (0.35) | ROCK1SLC6A2CYP2A6NOS3NOS1 | |
| Hydrochloric Acid SCHEMBL8053832 | 0.85 | ROCK1 (0.34) | ROCK1SLC6A2CYP2A6NOS3NOS1 | |
| Hydrochloric Acid SCHEMBL8056254 | 0.85 | ROCK1 (0.34) | ROCK1SLC6A2CYP2A6NOS3NOS1 | |
| SCHEMBL8049381 | 0.85 | ROCK1 (0.33) | ROCK1SLC6A2CYP2A6NOS3NOS1 |
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 |