Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.51 |
| ▸ | HPGD | P15428 | 4/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9952903 | 0.87 | KDM4E (0.54) | ALDH1A1HPGDCYP3A4KDM4EHSD17B10 | |
| SCHEMBL6590821 | 0.87 | ALDH1A1 (0.56) | ALDH1A1HPGDCYP3A4MAPK1KDM4E | |
| SCHEMBL7314126 | 0.85 | HSD17B10 (0.61) | ALDH1A1HPGDCYP3A4MAPK1KDM4E | |
| SCHEMBL14466515 | 0.83 | ALDH1A1 (0.58) | ALDH1A1HPGDCYP3A4MAPK1KDM4E | |
| SCHEMBL14864226 | 0.81 | ALDH1A1 (0.56) | ALDH1A1HPGDCYP3A4MAPK1KDM4E | |
| SCHEMBL3918324 | 0.80 | ALDH1A1 (0.54) | ALDH1A1HPGDKDM4EHSD17B10AKR1C3 | |
| SCHEMBL30336005 | 0.80 | POLB (0.64) | ALDH1A1HPGDCYP3A4MAPK1KDM4E | |
| SCHEMBL2436724 | 0.80 | ALDH1A1 (0.54) | ALDH1A1HPGDKDM4EHSD17B10AKR1C3 | |
| SCHEMBL30046118 | 0.80 | ALDH1A1 (0.54) | ALDH1A1HPGDKDM4EHSD17B10AKR1C3 | |
| SCHEMBL10112008 | 0.80 | ALDH1A1 (0.54) | ALDH1A1HPGDCYP3A4MAPK1KDM4E |
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-4822800-A | Isoquinolinol compounds having cardiotonic and phosphodiesterase fraction III inhibiting properties and/or renal vasodilating properties | ORTHO PHARMACEUTICAL CORPORATION (US) | 1989-04-18 | — | — | US | disclosed |