Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4765621 | 0.81 | KDM4E (0.43) | KDM4EALDH1A1 | |
| SCHEMBL3969169 | 0.72 | CYP19A1 (0.35) | RNASEH1ALDH1A1HPGDNPSR1 | |
| SCHEMBL4072643 | 0.70 | KDM4E (0.44) | KDM4EALDH1A1 | |
| SCHEMBL4069766 | 0.69 | ATM (0.41) | LCKATMRNASEH1KDM4EALDH1A1 | |
| SCHEMBL27522607 | 0.64 | ATM (0.44) | ATMCYP2C9KDM4EALDH1A1HPGD | |
| SCHEMBL31306918 | 0.62 | ATM (0.53) | LCKATMKDM4EALDH1A1HPGD | |
| SCHEMBL24661703 | 0.61 | ATM (0.47) | ATMKDM4EALDH1A1PKMNPSR1 | |
| SCHEMBL3891700 | 0.61 | GRM2 (0.41) | RNASEH1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL31347580 | 0.61 | ATM (0.50) | ATMKDM4EALDH1A1NPSR1HSD17B10 | |
| SCHEMBL8272321 | 0.61 | ATM (0.50) | ATMKDM4EALDH1A1NPSR1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1496836-B1 | N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2008-09-24 | — | — | EP | disclosed |