Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.40 |
| ▸ | MAPT | P10636 | 8/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7484135 | 0.77 | KEAP1 (0.51) | KEAP1NFE2L2GFERALDH1A1MAPT | |
| SCHEMBL7439631 | 0.74 | MAPT (0.40) | ALDH1A1MAPTLMNAGAATDP1 | |
| SCHEMBL7409180 | 0.72 | MAPT (0.43) | ALDH1A1MAPTLMNAGAATDP1 | |
| SCHEMBL17585445 | 0.72 | MAPT (0.46) | KEAP1NFE2L2ALDH1A1MAPTLMNA | |
| SCHEMBL7412702 | 0.72 | KDM4E (0.44) | GFERALDH1A1MAPTLMNAGAA | |
| SCHEMBL7437559 | 0.71 | KMT2A (0.41) | ALDH1A1MAPTLMNATDP1HTT | |
| SCHEMBL4322696 | 0.70 | KEAP1 (0.53) | KEAP1NFE2L2ALDH1A1MAPTLMNA | |
| SCHEMBL1494398 | 0.69 | MAPT (0.46) | GFERALDH1A1MAPTLMNAGAA | |
| SCHEMBL7411233 | 0.69 | ABCG2 (0.48) | ALDH1A1MAPTTDP1HTTCYP2C9 | |
| SCHEMBL7441183 | 0.69 | LMNA (0.39) | ALDH1A1MAPTLMNATDP1PKM |
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-4843077-A | Isoquinoline derivatives having renal vasodilating properties and/or cardiotonic properties and/or phosphodiesterase inhibiting properties | ORTHO PHARMACEUTICAL CORPORATION (US) | 1989-06-27 | — | — | US | disclosed |