Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CPA1 | P15085 | 7/20 | 0.43 |
| ▸ | CPA3 | P15088 | 3/20 | 0.43 |
| ▸ | CPB1 | P15086 | 1/20 | 0.43 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.43 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MME | P08473 | 1/20 | 0.39 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9255967 | 1.00 | CYP1A2 (0.44) | CYP1A2CPA1CPA3CPB1CPB2 | |
| SCHEMBL9258638 | 0.90 | KMT2A (0.52) | — | |
| SCHEMBL9260633 | 0.88 | ALDH1A1 (0.45) | CYP1A2ALDH1A1MAPTSSTR4 | |
| SCHEMBL9265810 | 0.80 | CYP3A4 (0.48) | CYP1A2CPA1CPA3CPB1CPB2 | |
| SCHEMBL9263461 | 0.80 | CYP3A4 (0.48) | CYP1A2CPA1CPA3CPB1CPB2 | |
| SCHEMBL9256390 | 0.80 | CYP3A4 (0.48) | CYP1A2CPA1CPA3CPB1CPB2 | |
| SCHEMBL9257253 | 0.79 | KMT2A (0.48) | — | |
| SCHEMBL9261592 | 0.78 | CYP1A2 (0.53) | CYP1A2CPA1CPA3CPB1CPB2 | |
| SCHEMBL9256843 | 0.78 | CYP1A2 (0.43) | CYP1A2CPA1CPA3CPB1CPB2 | |
| SCHEMBL9261306 | 0.78 | CYP1A2 (0.43) | CYP1A2CPA1CPA3CPB1CPB2 |
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 |