Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.40 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.40 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4065155 | 0.89 | KDM4E (0.55) | KDM4EL3MBTL1GAAPSMD14MAP2K1 | |
| SCHEMBL7258792 | 0.85 | KDM4E (0.51) | KDM4EL3MBTL1PSMD14MAP2K1EGLN1 | |
| SCHEMBL7258791 | 0.85 | KDM4E (0.45) | KDM4EL3MBTL1GAAEGLN1KMT2A | |
| SCHEMBL3241312 | 0.82 | KDM4E (0.54) | KDM4EL3MBTL1GAAPSMD14MAP2K1 | |
| SCHEMBL13993803 | 0.81 | KDM4E (0.52) | KDM4EL3MBTL1GAAPSMD14MAP2K1 | |
| SCHEMBL4062569 | 0.81 | KDM4E (0.52) | KDM4EL3MBTL1GAAPSMD14MAP2K1 | |
| SCHEMBL3239918 | 0.80 | KDM4E (0.51) | KDM4EL3MBTL1GAAPSMD14MAP2K1 | |
| SCHEMBL966397 | 0.80 | KDM4E (0.51) | KDM4EL3MBTL1GAAPSMD14MAP2K1 | |
| SCHEMBL4072643 | 0.78 | KDM4E (0.44) | KDM4EL3MBTL1PSMD14MAP2K1EGLN1 | |
| SCHEMBL4765621 | 0.76 | KDM4E (0.43) | KDM4EL3MBTL1GAAEGLN1KMT2A |
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-2003077857-A2 | N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2003-09-25 | — | — | WO | disclosed |