Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 8/20 | 0.44 |
| ▸ | METAP2 | P50579 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.42 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.42 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22023652 | 0.88 | PARP1 (0.42) | KDM4EALDH1A1MAPTHPGDTSHR | |
| SCHEMBL5506244 | 0.88 | MMP2 (0.41) | KDM4EALDH1A1MAPTHPGDTSHR | |
| SCHEMBL28819980 | 0.88 | CA2 (0.43) | KDM4EALDH1A1MAPTHPGDTSHR | |
| SCHEMBL17030746 | 0.86 | CES2 (0.42) | KDM4EALDH1A1MAPTHPGDTSHR | |
| SCHEMBL27627276 | 0.86 | L3MBTL1 (0.44) | KDM4EALDH1A1MAPTHPGDTSHR | |
| SCHEMBL29213234 | 0.85 | PDPK1 (0.39) | KDM4EALDH1A1MAPTHPGDTSHR | |
| SCHEMBL22023790 | 0.83 | HTT (0.45) | KDM4EALDH1A1MAPTPARP1IRAK4 | |
| SCHEMBL28322785 | 0.83 | LMNA (0.46) | PARP1GAAPDPK1 | |
| SCHEMBL25665883 | 0.83 | IRAK4 (0.41) | KDM4EALDH1A1MAPTHPGDTSHR | |
| SCHEMBL6552615 | 0.82 | PARP1 (0.39) | KDM4EALDH1A1MAPTHPGDTSHR |
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-2142520-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. Hoffmann-Roche AG (CH) | 2010-01-13 | — | — | EP | disclosed |
| WO-2008119662-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-10-09 | — | — | WO | disclosed |