Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | KCNJ1 | P48048 | 3/20 | 0.36 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | CCR1 | P32246 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL6628386 | 1.00 | NOS3 (0.44) | NOS3NOS1NOS2KCNJ1FGFR4 | |
| SCHEMBL29955122 | 0.82 | GRIA1 (0.38) | KCNJ1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL13724582 | 0.80 | UHRF1 (0.54) | NOS3NOS1NOS2KCNJ1CYP1A2 | |
| SCHEMBL2035997 | 0.80 | KCNJ1 (0.33) | KCNJ1 | |
| SCHEMBL336343 | 0.80 | CYP1A2 (0.34) | KCNJ1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL24387499 | 0.80 | CYP3A4 (0.34) | NOS3NOS1NOS2KCNJ1CYP1A2 | |
| SCHEMBL8685644 | 0.80 | ERN1 (0.34) | KCNJ1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL14691321 | 0.80 | LMNA (0.32) | NOS3NOS1NOS2KCNJ1CCR1 | |
| SCHEMBL29186887 | 0.80 | KCNJ1 (0.33) | KCNJ1ALDH1A1 | |
| SCHEMBL29184309 | 0.80 | NOS3 (0.40) | NOS3NOS1NOS2KCNJ1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |