Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.70 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | NOS3 | P29474 | 3/20 | 0.43 |
| ▸ | NOS1 | P29475 | 3/20 | 0.43 |
| ▸ | NOS2 | P35228 | 3/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | SHBG | P04278 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL128915 | 1.00 | — | — | |
| SCHEMBL11227844 | 1.00 | CYP1A2 (0.70) | CYP1A2SIGMAR1CA1CA2CA4 | |
| SCHEMBL7738781 | 1.00 | CYP1A2 (0.70) | CYP1A2SIGMAR1CA1CA2CA4 | |
| SCHEMBL27988307 | 1.00 | CYP1A2 (0.70) | CYP1A2SIGMAR1CA1CA2CA4 | |
| SCHEMBL3633846 | 1.00 | CYP1A2 (0.70) | CYP1A2SIGMAR1CA1CA2CA4 | |
| SCHEMBL97288 | 1.00 | CYP1A2 (0.70) | CYP1A2SIGMAR1CA1CA2CA4 | |
| SCHEMBL7741556 | 1.00 | CYP1A2 (0.70) | CYP1A2SIGMAR1CA1CA2CA4 | |
| SCHEMBL905661 | 1.00 | CYP1A2 (0.70) | CYP1A2SIGMAR1CA1CA2CA4 | |
| Ammonia Solution, Strong SCHEMBL2254142 | 0.97 | CYP1A2 (0.67) | CYP1A2SIGMAR1CA1CA2CA4 | |
| Methane SCHEMBL16670259 | 0.97 | CYP1A2 (0.67) | CYP1A2SIGMAR1CA1CA2CA4 |
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-4052468-A | DEACON CATALYST | ALLIED CHEMICAL CORPORATION (US) | 1977-10-04 | — | — | US | disclosed |