Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.41 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.40 |
| ▸ | PDE1A | P54750 | 2/20 | 0.40 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.40 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | RAC1 | P63000 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12325390 | 0.86 | CYP3A4 (0.46) | KDM4ECYP3A4PDE3BPDE3AMEN1 | |
| Hydrochloric Acid SCHEMBL27947697 | 0.86 | KDM4E (0.46) | KDM4ECYP3A4HPGDPDE3BPDE3A | |
| SCHEMBL7426747 | 0.79 | ALDH1A1 (0.42) | KDM4EGABRA1GABRA5GABRA3GABRA2 | |
| SCHEMBL6313239 | 0.76 | KDM4E (0.49) | KDM4EHPGDPDE3BPDE3AL3MBTL1 | |
| SCHEMBL7445322 | 0.76 | ALDH1A1 (0.47) | KDM4EL3MBTL1MEN1KMT2ARAC1 | |
| Water SCHEMBL9830187 | 0.75 | ALDH1A1 (0.46) | KDM4EL3MBTL1MEN1KMT2ARAC1 | |
| Water SCHEMBL9830179 | 0.75 | ALDH1A1 (0.46) | KDM4EL3MBTL1MEN1KMT2ARAC1 | |
| SCHEMBL7309250 | 0.75 | PDE3B (0.44) | KDM4EGABRA1GABRA5GABRA3GABRA2 | |
| SCHEMBL9831668 | 0.75 | KMT2A (0.40) | KDM4EHPGDMEN1KMT2ARAC1 | |
| SCHEMBL7305960 | 0.74 | KDM4E (0.38) | KDM4EGABRA1GABRA5GABRA3GABRA2 |
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-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 |