Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 6/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 2/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.34 |
| ▸ | RECQL | P46063 | 2/20 | 0.34 |
| ▸ | BLM | P54132 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7316886 | 0.77 | HSD17B10 (0.40) | HPGDKDM4EALDH1A1HSD17B10SMN1; SMN2 | |
| SCHEMBL7317446 | 0.76 | TP53 (0.44) | HPGDKDM4EALDH1A1HSD17B10SMN1; SMN2 | |
| SCHEMBL7315407 | 0.75 | PDE3B (0.46) | KDM4EALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL7319846 | 0.74 | AKR1B1 (0.34) | HPGDKDM4EALDH1A1HSD17B10MAPT | |
| SCHEMBL15354651 | 0.65 | POLB (0.45) | HPGDKDM4EALDH1A1HSD17B10POLB | |
| SCHEMBL7305966 | 0.64 | PDE3B (0.57) | HPGDKDM4EALDH1A1POLBMEN1 | |
| SCHEMBL9506843 | 0.64 | NPSR1 (0.47) | HPGDKDM4EALDH1A1HSD17B10P2RX3 | |
| SCHEMBL21317651 | 0.63 | POLB (0.58) | ALDH1A1POLB | |
| SCHEMBL7320031 | 0.62 | POLB (0.46) | ALDH1A1SMN1; SMN2POLBMAPTIMPDH2 | |
| SCHEMBL3669296 | 0.61 | NPSR1 (0.52) | ALDH1A1THRB |
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 |