Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | TOP2A | P11388 | 2/20 | 0.39 |
| ▸ | TOP2B | Q02880 | 2/20 | 0.39 |
| ▸ | CASP3 | P42574 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9263580 | 0.89 | MAPT (0.40) | MMP9CASP1ALDH1A1CTSLCTSS | |
| SCHEMBL9259169 | 0.87 | MAPT (0.44) | CYP3A4TSHRCTSLCTSSCASP3 | |
| Methyl Alcohol SCHEMBL9267439 | 0.85 | ALDH1A1 (0.45) | CYP3A4MMP9CASP1ALDH1A1 | |
| SCHEMBL9264723 | 0.85 | TDP1 (0.46) | MMP9ALDH1A1KMT2A | |
| SCHEMBL9257349 | 0.83 | LMNA (0.42) | MMP9CASP1ALDH1A1 | |
| SCHEMBL9263230 | 0.81 | ACE2 (0.43) | CYP3A4TSHRALDH1A1CTSLCTSS | |
| SCHEMBL9260511 | 0.78 | ALDH1A1 (0.44) | MMP9CASP1ALDH1A1 | |
| SCHEMBL9259162 | 0.77 | ACE2 (0.43) | — | |
| SCHEMBL9258283 | 0.76 | EPHX2 (0.40) | ALDH1A1MEN1KMT2A | |
| SCHEMBL9257796 | 0.76 | MAPT (0.54) | ALDH1A1ATMMEN1KMT2A |
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 |