Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL17551757 | 0.85 | CYP1A2 (0.41) | CYP1A2GRM2GRM3SIGMAR1POLB | |
| SCHEMBL13502955 | 0.83 | CYP1A2 (0.43) | CYP1A2GRM2GRM3SIGMAR1POLB | |
| SCHEMBL9076358 | 0.83 | CYP1A2 (0.43) | CYP1A2GRM2GRM3SIGMAR1POLB | |
| SCHEMBL17336274 | 0.78 | SIGMAR1 (0.40) | CYP1A2GRM2GRM3SIGMAR1NOS1 | |
| SCHEMBL12022863 | 0.78 | SIGMAR1 (0.40) | CYP1A2GRM2GRM3SIGMAR1NOS1 | |
| SCHEMBL24090317 | 0.77 | — | — | |
| SCHEMBL2779823 | 0.75 | CYP1A2 (0.42) | CYP1A2GRM2GRM3SIGMAR1POLB | |
| SCHEMBL530897 | 0.75 | CYP1A2 (0.42) | CYP1A2GRM2GRM3SIGMAR1POLB | |
| SCHEMBL2999499 | 0.73 | CYP1A2 (0.43) | CYP1A2NOS3NOS1NOS2 | |
| Hydrochloric Acid SCHEMBL15286839 | 0.73 | CYP1A2 (0.41) | CYP1A2GRM2GRM3SIGMAR1POLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5532397-A | Substituted silyl alkylene amines | MERRELL PHARMACEUTICALS INC. (US) | 1996-07-02 | — | — | US | disclosed |
| US-5529988-A | Substituted silyl alkylene amines | MERRELL PHARMACEUTICALS INC. (US) | 1996-06-25 | — | — | US | disclosed |
| US-5384312-A | Substituted silyl alkylene amines | MERRELL DOW PHARMACEUTICALS INC. (US) | 1995-01-24 | — | — | US | disclosed |