Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.68 |
| ▸ | GLA | P06280 | 1/20 | 0.68 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.68 |
| ▸ | RAD52 | P43351 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11240914 | 0.93 | RAD52 (0.72) | KDM4EGLARCE1RAD52CYP1A2 | |
| SCHEMBL18736054 | 0.93 | RAD52 (0.69) | KDM4EGLARCE1RAD52CYP1A2 | |
| SCHEMBL28028718 | 0.93 | KDM4E (0.78) | KDM4EGLARCE1RAD52CYP1A2 | |
| Hydrochloric Acid SCHEMBL9416541 | 0.92 | RAD52 (0.71) | KDM4EGLARCE1RAD52CYP1A2 | |
| SCHEMBL17381541 | 0.92 | KDM4E (0.70) | KDM4EGLARCE1RAD52CYP1A2 | |
| SCHEMBL15609529 | 0.87 | KDM4E (0.58) | KDM4EGLARCE1RAD52CYP1A2 | |
| SCHEMBL16714142 | 0.87 | KDM4E (0.58) | KDM4EGLARCE1RAD52CYP1A2 | |
| SCHEMBL14739313 | 0.85 | MAOA (0.68) | KDM4EGLARCE1RAD52ALDH1A1 | |
| SCHEMBL3059339 | 0.85 | MAOA (0.68) | KDM4EGLARCE1RAD52ALDH1A1 | |
| SCHEMBL17212226 | 0.85 | RAD52 (0.61) | KDM4EGLARCE1RAD52CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001055117-A1 | NOVEL ISOQUINOLINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | LES LABORATOIRES SERVIER (FR) | 2001-08-02 | — | — | WO | disclosed |