Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.42 |
| ▸ | GABRA6 | Q16445 | 3/20 | 0.42 |
| ▸ | DPP4 | P27487 | 5/20 | 0.41 |
| ▸ | TNF | P01375 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | GMNN | O75496 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 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 | |
|---|---|---|---|---|
| SCHEMBL7447294 | 0.79 | KDM4E (0.42) | ALDH1A1KDM4EGAAGABRA1GABRA5 | |
| SCHEMBL10791069 | 0.69 | KDM4E (0.56) | ALDH1A1KDM4EGAADPP4MAPT | |
| SCHEMBL7446369 | 0.69 | MEN1 (0.40) | ALDH1A1KDM4EGAADPP4TNF | |
| SCHEMBL12325390 | 0.68 | CYP3A4 (0.46) | ALDH1A1KDM4EGAAMAPTLMNA | |
| Hydrochloric Acid SCHEMBL27947697 | 0.68 | KDM4E (0.46) | ALDH1A1KDM4EGAAMAPTCYP1A2 | |
| SCHEMBL7428283 | 0.68 | VCP (0.39) | ALDH1A1KDM4EGAADPP4TNF | |
| SCHEMBL7431845 | 0.67 | HPGD (0.45) | ALDH1A1KDM4EGAAGABRA1GABRA5 | |
| SCHEMBL13514137 | 0.67 | PDE4D (0.42) | ALDH1A1KDM4EGAAMAPTTSHR | |
| SCHEMBL7426725 | 0.66 | LMNA (0.43) | ALDH1A1KDM4EGAAMAPTLMNA | |
| SCHEMBL20562964 | 0.65 | LMNA (0.43) | ALDH1A1GAAMAPTLMNACYP1A2 |
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 |