Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 5/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
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 | 0.89 | NPC1 (0.40) | HDAC6KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL5226357 | 0.89 | HDAC6 (0.48) | HDAC6F2KDM4EALDH1A1HPGD | |
| SCHEMBL5224099 | 0.86 | GCGR (0.38) | HDAC6F2KDM4EALDH1A1HPGD | |
| SCHEMBL5222469 | 0.86 | ALDH1A1 (0.44) | HDAC6F2KDM4EALDH1A1HPGD | |
| SCHEMBL4978242 | 0.85 | BRD4 (0.35) | HDAC6F2KDM4EALDH1A1HPGD | |
| SCHEMBL5224254 | 0.76 | KDR (0.38) | HDAC6F2HDAC3PTGS1HDAC4 | |
| SCHEMBL5226590 | 0.76 | GRM5 (0.38) | HDAC6ALDH1A1HSD17B10NPC1MAPT | |
| SCHEMBL14274200 | 0.75 | HDAC6 (0.41) | HDAC6F2KDM4EALDH1A1HPGD | |
| SCHEMBL4980289 | 0.75 | HDAC6 (0.41) | HDAC6F2KDM4EALDH1A1HDAC1 | |
| SCHEMBL4978515 | 0.74 | BRD4 (0.38) | HDAC6KDM4EALDH1A1HPGDHSD17B10 |
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 |