Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TSPO | P30536 | 5/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | QPCT | Q16769 | 1/20 | 0.32 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7447598 | 0.94 | TSPO (0.34) | LMNATSPOKDM4ENPC1RAB9A | |
| SCHEMBL7436061 | 0.88 | KMT2A (0.32) | LMNAKDM4ENPC1GLAKMT2A | |
| SCHEMBL9831575 | 0.82 | KDM4E (0.36) | LMNACYP3A4CYP2D6KDM4EALDH1A1 | |
| Water SCHEMBL10786998 | 0.81 | KDM4E (0.38) | LMNACYP3A4CYP2D6KDM4EALDH1A1 | |
| SCHEMBL7426725 | 0.79 | LMNA (0.43) | LMNATSPOKDM4EALDH1A1NPC1 | |
| SCHEMBL7435587 | 0.79 | QPCT (0.38) | LMNACYP3A4CYP2C19ALDH1A1GAA | |
| SCHEMBL7446891 | 0.76 | LMNA (0.41) | LMNATSPOKDM4EALDH1A1NPC1 | |
| SCHEMBL7440283 | 0.73 | KDR (0.44) | LMNAKDM4EALDH1A1GAARAB9A | |
| SCHEMBL7441183 | 0.72 | LMNA (0.39) | LMNATSPOKDM4EALDH1A1NPC1 | |
| SCHEMBL7447594 | 0.67 | LCK (0.41) | TSPOKDM4EALDH1A1NPC1GAA |
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 |