Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.79 |
| ▸ | GLA | P06280 | 1/20 | 0.79 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.79 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.65 |
| ▸ | RAD52 | P43351 | 2/20 | 0.57 |
| ▸ | MAOA | P21397 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4278138 | 0.88 | KDM4E (1.00) | KDM4EGLARCE1CYP1A2CYP3A4 | |
| SCHEMBL4098416 | 0.86 | KDM4E (0.73) | KDM4EGLARCE1CYP1A2CYP3A4 | |
| SCHEMBL990162 | 0.85 | KDM4E (0.72) | KDM4EGLARCE1CYP1A2CYP3A4 | |
| SCHEMBL27961569 | 0.83 | KDM4E (0.72) | KDM4EGLARCE1CYP1A2CYP3A4 | |
| SCHEMBL9591752 | 0.83 | KDM4E (0.65) | KDM4EGLARCE1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL9312109 | 0.83 | KDM4E (0.64) | KDM4EGLARCE1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL27961566 | 0.82 | KDM4E (0.70) | KDM4EGLARCE1CYP1A2CYP3A4 | |
| SCHEMBL4103388 | 0.80 | CYP1A2 (0.76) | KDM4EGLARCE1CYP1A2CYP3A4 | |
| SCHEMBL990879 | 0.80 | KDM4E (0.64) | KDM4EGLARCE1CYP1A2CYP3A4 | |
| Acetic Acid SCHEMBL2478031 | 0.80 | KDM4E (0.67) | KDM4EGLARCE1CYP1A2CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2227455-B1 | TRISUBSTITUTED 3,4-DIHYDRO-1H-ISOQUINOLIN COMPOUND, PROCESS FOR ITS PREPARATION, AND ITS USE | ACTELION PHARMACEUTICALS LTD (CH) | 2011-10-12 | — | — | EP | disclosed |
| WO-2009083903-A1 | TRISUBSTITUTED 3,4-DIHYDRO-1H-ISOQUINOLIN COMPOUND, PROCESS FOR ITS PREPARATION, AND ITS USE | ACTELION PHARMACEUTICALS LTD (CH) | 2009-07-09 | — | — | WO | disclosed |