Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | MME | P08473 | 7/20 | 0.47 |
| ▸ | ACE | P12821 | 2/20 | 0.47 |
| ▸ | CPA1 | P15085 | 2/20 | 0.47 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP7 | P09237 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MMP12 | P39900 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10826528 | 0.89 | MME (0.52) | MMEACE | |
| SCHEMBL10826470 | 0.87 | ACE (0.49) | MMEACECPA1ACE2 | |
| SCHEMBL5598613 | 0.86 | MME (0.46) | MMEACECPA1ACE2MMP2 | |
| SCHEMBL31184506 | 0.86 | MME (0.46) | MMEACECPA1ACE2MMP2 | |
| SCHEMBL5598606 | 0.86 | MME (0.46) | MMEACECPA1ACE2MMP2 | |
| SCHEMBL11756698 | 0.86 | GNPAT (0.56) | MMEACECPA1ACE2MMP2 | |
| SCHEMBL7292330 | 0.86 | GNPAT (0.56) | MMEACECPA1ACE2MMP2 | |
| SCHEMBL11756689 | 0.86 | GNPAT (0.56) | MMEACECPA1ACE2MMP2 | |
| SCHEMBL11763272 | 0.86 | GNPAT (0.56) | MMEACECPA1ACE2MMP2 | |
| SCHEMBL9672005 | 0.86 | CTSC (0.47) | MME |
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-4609641-A | HYPOTENSIVE, ANTIALDOSTERONE | MERCK & CO., INC. (US) | 1986-09-02 | — | — | US | disclosed |