Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 5/20 | 0.34 |
| ▸ | NOS3 | P29474 | 4/20 | 0.34 |
| ▸ | NOS2 | P35228 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7597684 | 0.77 | NOS2 (0.35) | CYP1A2CYP2D6NOS1NOS3NOS2 | |
| SCHEMBL7381137 | 0.66 | NOS2 (0.36) | CYP1A2CYP2D6NOS1NOS3NOS2 | |
| SCHEMBL7412405 | 0.65 | NOS2 (0.35) | CYP1A2CYP2D6NOS1NOS3NOS2 | |
| SCHEMBL7380800 | 0.64 | NOS2 (0.42) | CYP1A2CYP2D6NOS1NOS3NOS2 | |
| SCHEMBL7418163 | 0.64 | BACE1 (0.46) | CYP1A2CYP2D6NOS3NOS2KDM4E | |
| SCHEMBL27561460 | 0.63 | NOS1 (0.37) | CYP2D6NOS1NOS3NOS2KDM4E | |
| SCHEMBL4836296 | 0.62 | LMNA (0.38) | CYP1A2CYP2D6NOS2KDM4EMAPT | |
| SCHEMBL926504 | 0.61 | — | — | |
| SCHEMBL20708485 | 0.61 | — | — | |
| SCHEMBL7394046 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000073313-A1 | NEW TRICYCLIC AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2000-12-07 | — | — | WO | disclosed |