Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 3/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9839375 | 0.86 | CYP2C9 (0.41) | KDM4EALDH1A1HPGDMETAP2 | |
| SCHEMBL8854220 | 0.80 | PARP1 (0.35) | PARP1 | |
| SCHEMBL8854207 | 0.78 | HTR1A (0.32) | PARP1PARP2 | |
| SCHEMBL4345744 | 0.78 | ADRA1A (0.52) | ADRA1AKDM4EALDH1A1MAPTHPGD | |
| SCHEMBL28197915 | 0.78 | ADRA1A (0.46) | ADRA1AKDM4EALDH1A1MAPTHPGD | |
| SCHEMBL8854210 | 0.76 | METAP2 (0.33) | PARP1PARP2METAP2 | |
| SCHEMBL363916 | 0.75 | PARP1 (0.53) | ADRA1ANPC1PARP1PARP2 | |
| SCHEMBL31757029 | 0.75 | PARP1 (0.53) | ADRA1ANPC1PARP1PARP2 | |
| SCHEMBL34473815 | 0.75 | ADRA1A (0.47) | ADRA1AKDM4EALDH1A1MAPTHPGD | |
| SCHEMBL30839552 | 0.75 | ADRA1A (0.41) | ADRA1AKDM4EALDH1A1MAPTHPGD |
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-1983987-A2 | DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES | Vertex Pharmaceuticals Incorporated (US) | 2008-10-29 | — | — | EP | disclosed |
| WO-2007095188-A2 | DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-08-23 | — | — | WO | disclosed |