Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GCGR | P47871 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | GFER | P55789 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.34 |
| ▸ | BRAF | P15056 | 2/20 | 0.34 |
| ▸ | RAF1 | P04049 | 1/20 | 0.34 |
| ▸ | NPC1L1 | Q9UHC9 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | GCG | P01275 | 1/20 | 0.33 |
| ▸ | GIPR | P48546 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5230034 | 0.87 | NPC1 (0.40) | HDAC6NPC1GFERRAB9AKDM4E | |
| SCHEMBL4978649 | 0.87 | BRD4 (0.35) | GCGRHDAC6NPC1GFERRAB9A | |
| SCHEMBL5226357 | 0.87 | HDAC6 (0.48) | HDAC6NPC1GFERRAB9AKDM4E | |
| SCHEMBL5226340 | 0.86 | HDAC6 (0.39) | GCGRHDAC6NPC1GFERRAB9A | |
| SCHEMBL5222469 | 0.84 | ALDH1A1 (0.44) | HDAC6NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL4980289 | 0.78 | HDAC6 (0.41) | HDAC6NPC1RAB9AKDM4ENPC1L1 | |
| SCHEMBL5226042 | 0.77 | KDR (0.37) | GCGRHDAC6BRAFRAF1HDAC3 | |
| SCHEMBL4978515 | 0.77 | BRD4 (0.38) | GCGRHDAC6NPC1GFERRAB9A | |
| SCHEMBL5226236 | 0.77 | BRAF (0.45) | GCGRHDAC6NPC1RAB9AKDM4E | |
| SCHEMBL4978242 | 0.76 | BRD4 (0.35) | GCGRHDAC6NPC1GFERRAB9A |
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-1487824-B1 | DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2007-06-20 | — | — | EP | disclosed |