Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK10 | P53779 | 11/20 | 0.61 |
| ▸ | PKM | P14618 | 1/20 | 0.60 |
| ▸ | RAD52 | P43351 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8021079 | 0.86 | PKM (0.71) | MAPK10PKMRAD52ALDH1A1LMNA | |
| SCHEMBL4221557 | 0.83 | MAPK10 (0.68) | MAPK10PKMRAD52ALDH1A1LMNA | |
| SCHEMBL17144905 | 0.82 | ALDH1A1 (0.71) | MAPK10PKMRAD52ALDH1A1LMNA | |
| SCHEMBL30979840 | 0.78 | MAPK10 (0.80) | MAPK10PKMRAD52ALDH1A1LMNA | |
| SCHEMBL5355121 | 0.78 | MAPK10 (0.80) | MAPK10PKMRAD52ALDH1A1LMNA | |
| SCHEMBL31011321 | 0.75 | ALDH1A1 (0.76) | MAPK10PKMRAD52ALDH1A1LMNA | |
| SCHEMBL28180887 | 0.75 | ALDH1A1 (0.76) | MAPK10PKMRAD52ALDH1A1LMNA | |
| SCHEMBL30597523 | 0.74 | ALDH1A1 (0.79) | MAPK10PKMRAD52ALDH1A1LMNA | |
| SCHEMBL10426643 | 0.74 | ALDH1A1 (0.74) | MAPK10PKMRAD52ALDH1A1LMNA | |
| SCHEMBL28931630 | 0.74 | ALDH1A1 (0.79) | MAPK10PKMRAD52ALDH1A1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1992011242-A1 | FUNGICIDAL ISOQUINOLINE DERIVATIVES | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1992-07-09 | — | — | WO | disclosed |
| EP-0491441-A1 | Fungicidal isoquinoline derivatives | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1992-06-24 | — | — | EP | disclosed |