Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | NOS3 | P29474 | 5/20 | 0.39 |
| ▸ | NOS1 | P29475 | 5/20 | 0.39 |
| ▸ | NOS2 | P35228 | 5/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 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 | |
|---|---|---|---|---|
| SCHEMBL14646712 | 0.93 | CYP1A2 (0.38) | CYP1A2NOS3NOS1NOS2CA1 | |
| SCHEMBL19090013 | 0.93 | CYP1A2 (0.38) | CYP1A2NOS3NOS1NOS2CA1 | |
| SCHEMBL3243534 | 0.93 | CYP1A2 (0.38) | CYP1A2NOS3NOS1NOS2CA1 | |
| SCHEMBL19090014 | 0.93 | CYP1A2 (0.38) | CYP1A2NOS3NOS1NOS2CA1 | |
| SCHEMBL20858611 | 0.92 | CYP1A2 (0.39) | CYP1A2NOS3NOS1NOS2CA1 | |
| SCHEMBL21917742 | 0.84 | — | — | |
| SCHEMBL12663105 | 0.84 | — | — | |
| SCHEMBL19739567 | 0.84 | — | — | |
| SCHEMBL18653760 | 0.82 | CYP1A2 (0.39) | CYP1A2SIGMAR1 | |
| SCHEMBL23463470 | 0.82 | CYP1A2 (0.39) | CYP1A2SIGMAR1 |
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-11367509-B2 | Systems and methods for generating, visualizing and classifying molecular functional profiles | BOSTONGENE CORPORATION (US) | 2022-06-21 | — | — | US | disclosed |
| US-11335439-B2 | — | — | 2022-05-17 | — | — | US | disclosed |
| US-11322226-B2 | Systems and methods for generating, visualizing and classifying molecular functional profiles | BOSTONGENE CORPORATION (US) | 2022-05-03 | — | — | US | disclosed |