Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | LCK | P06239 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | APAF1 | O14727 | 1/20 | 0.37 |
| ▸ | TDP2 | O95551 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | QPCT | Q16769 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7447594 | 0.95 | LCK (0.41) | KDRALDH1A1KDM4ELCKHSD17B10 | |
| SCHEMBL7436056 | 0.89 | KDR (0.42) | KDRALDH1A1KDM4ELCKHSD17B10 | |
| SCHEMBL7446891 | 0.83 | LMNA (0.41) | ALDH1A1KDM4EHSD17B10LMNAMAPT | |
| SCHEMBL7435587 | 0.82 | QPCT (0.38) | KDRALDH1A1HSD17B10GAAAPAF1 | |
| SCHEMBL9831559 | 0.81 | KDR (0.49) | KDRALDH1A1KDM4ELCKHSD17B10 | |
| Water SCHEMBL10786986 | 0.80 | KDR (0.48) | KDRALDH1A1KDM4ELCKHSD17B10 | |
| Water SCHEMBL10786992 | 0.80 | KDR (0.48) | KDRALDH1A1KDM4ELCKHSD17B10 | |
| SCHEMBL7426725 | 0.76 | LMNA (0.43) | ALDH1A1KDM4EGAALMNAMAPT | |
| SCHEMBL7440286 | 0.73 | LMNA (0.35) | ALDH1A1KDM4EHSD17B10GAALMNA | |
| SCHEMBL7441183 | 0.72 | LMNA (0.39) | ALDH1A1KDM4ECASP3SENP8SENP7 |
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 |
|---|---|---|---|---|---|---|---|
| US-4880817-A | O-functionalized derivatives of substituted isoquinolin-3-ols having cardiotonic and/or phosphodiesterase fraction III inhibiting properties and/or renal vasodilating properties | ORTHO PHARMACEUTICAL CORPORATION (US) | 1989-11-14 | — | — | US | claimed |
| US-4880817-A | O-functionalized derivatives of substituted isoquinolin-3-ols having cardiotonic and/or phosphodiesterase fraction III inhibiting properties and/or renal vasodilating properties | ORTHO PHARMACEUTICAL CORPORATION (US) | 1989-11-14 | — | — | US | disclosed |