Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 8/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL4843706 | 0.96 | CYP1A2 (0.46) | CYP1A2CA1CA2CA4TSHR | |
| SCHEMBL4843048 | 0.94 | CA1 (0.45) | CYP1A2CA1CA2CA4TSHR | |
| SCHEMBL21038566 | 0.94 | CA1 (0.40) | CYP1A2CA1CA2CA4TSHR | |
| SCHEMBL6127788 | 0.94 | CA1 (0.40) | CYP1A2CA1CA2CA4TSHR | |
| SCHEMBL4840177 | 0.94 | CA1 (0.40) | CYP1A2CA1CA2CA4TSHR | |
| SCHEMBL16151871 | 0.94 | CA1 (0.40) | CYP1A2CA1CA2CA4TSHR | |
| SCHEMBL14646885 | 0.94 | CA1 (0.40) | CYP1A2CA1CA2CA4TSHR | |
| SCHEMBL10409624 | 0.87 | CA1 (0.41) | CYP1A2CA1CA2CA4TSHR | |
| SCHEMBL4845449 | 0.85 | CYP1A2 (0.46) | CYP1A2CA1CA2CA4TSHR | |
| SCHEMBL4842023 | 0.84 | CYP1A2 (0.65) | CYP1A2CA1CA2CA4CNR2 |
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-4359370-A | AN IMIDAZOLE-EPOXY ADDUCT CATALYST | SHELL OIL COMPANY (US) | 1982-11-16 | — | — | US | disclosed |