Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.45 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | CASP3 | P42574 | 2/20 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL9830179 | 0.99 | ALDH1A1 (0.46) | ALDH1A1TSHRHSD17B10KDM4EMAPT | |
| Water SCHEMBL9830187 | 0.99 | ALDH1A1 (0.46) | ALDH1A1TSHRHSD17B10KDM4EMAPT | |
| SCHEMBL9831668 | 0.87 | KMT2A (0.40) | ALDH1A1TSHRKDM4EMAPTGAA | |
| SCHEMBL9832514 | 0.85 | KDM4E (0.42) | ALDH1A1TSHRHSD17B10KDM4EMAPT | |
| SCHEMBL7413138 | 0.82 | ALDH1A1 (0.41) | ALDH1A1TSHRHSD17B10KDM4EMAPT | |
| SCHEMBL9832403 | 0.79 | EGFR (0.49) | ALDH1A1TSHRHSD17B10KDM4EMAPT | |
| SCHEMBL9831559 | 0.79 | KDR (0.49) | ALDH1A1TSHRHSD17B10KDM4EMAPT | |
| SCHEMBL9830353 | 0.79 | GAA (0.40) | ALDH1A1KDM4EMAPTGAAMEN1 | |
| SCHEMBL9831858 | 0.79 | CA12 (0.50) | ALDH1A1HSD17B10KDM4EMAPTGAA | |
| Water SCHEMBL10786992 | 0.78 | KDR (0.48) | ALDH1A1TSHRHSD17B10KDM4EMAPT |
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 |