Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.31 |
| ▸ | NOS1 | P29475 | 2/20 | 0.31 |
| ▸ | NOS2 | P35228 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL22080484 | 0.92 | SHBG (0.33) | NOS3NOS1NOS2CYP3A4CYP2D6 | |
| SCHEMBL24205697 | 0.80 | NPC1 (0.37) | CYP3A4 | |
| SCHEMBL5185548 | 0.80 | MEN1 (0.40) | CYP3A4CYP2D6 | |
| SCHEMBL5185545 | 0.80 | MEN1 (0.40) | CYP3A4CYP2D6 | |
| SCHEMBL6868079 | 0.75 | MAPT (0.44) | CYP3A4 | |
| SCHEMBL6860822 | 0.75 | MAPT (0.44) | CYP3A4 | |
| SCHEMBL22080824 | 0.75 | IDH1 (0.33) | — | |
| SCHEMBL22080459 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL6860826 | 0.71 | MAPT (0.42) | CYP3A4 | |
| SCHEMBL27375601 | 0.69 | SHBG (0.40) | CYP3A4CYP2D6 |
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-2020114936-A1 | NOVEL PROCEDURE FOR THE FORMATION OF 2H-BENZOTRIAZOLE BODIES AND CONGENERS | BASF SE (DE) | 2020-06-11 | — | — | WO | disclosed |