Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | CPA1 | P15085 | 7/20 | 0.40 |
| ▸ | CPA3 | P15088 | 3/20 | 0.40 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.40 |
| ▸ | CPB1 | P15086 | 1/20 | 0.40 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.37 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.37 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9256762 | 0.90 | CHRM3 (0.39) | CYP1A2CHRM3ALDH1A1 | |
| SCHEMBL7487307 | 0.84 | CYP1A2 (0.49) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL9259915 | 0.80 | TMEM97 (0.41) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL9259921 | 0.80 | TMEM97 (0.41) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL9259379 | 0.78 | CYP1A2 (0.42) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL9257776 | 0.78 | ALDH1A1 (0.43) | ALDH1A1MAPT | |
| SCHEMBL9255967 | 0.78 | CYP1A2 (0.44) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL9255965 | 0.78 | CYP1A2 (0.44) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL9261592 | 0.77 | CYP1A2 (0.53) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL9261314 | 0.77 | PTGIR (0.42) | CHRM3MAPT |
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-5393875-A | Hypotensive, cardiotonic and antiischemic agents | HOFFMANN-LA ROCHE INC. (US) | 1995-02-28 | — | — | US | disclosed |