Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 3/20 | 0.41 |
| ▸ | NSD2 | O96028 | 1/20 | 0.41 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | CTSS | P25774 | 2/20 | 0.40 |
| ▸ | CTSK | P43235 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19254587 | 0.88 | ALDH1A1 (0.41) | ADORA2BKDM4EALDH1A1CTSSCTSK | |
| SCHEMBL19207635 | 0.80 | HDAC3 (0.60) | KDM4EALDH1A1HPGDHSD17B10LMNA | |
| SCHEMBL19207629 | 0.79 | MEN1 (0.47) | KDM4EALDH1A1HPGDHSD17B10MAPT | |
| SCHEMBL19207423 | 0.79 | CSNK2A1 (0.49) | ADORA2BKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL19254333 | 0.76 | CSNK2A1 (0.47) | KDM4EALDH1A1HPGDMAPK1HSD17B10 | |
| SCHEMBL19207433 | 0.76 | CSNK2A1 (0.41) | KDM4EMAPK1HSD17B10MAPTLMNA | |
| SCHEMBL19207434 | 0.76 | CSNK2A1 (0.47) | KDM4EALDH1A1HPGDMAPK1HSD17B10 | |
| SCHEMBL19207491 | 0.69 | CSNK2A1 (0.49) | ADORA2BKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL19207408 | 0.68 | THRB (0.49) | KDM4EALDH1A1HPGDMAPTLMNA | |
| SCHEMBL19254750 | 0.67 | CSNK2A1 (0.55) | KDM4EALDH1A1HPGDMAPK1HSD17B10 |
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-2017136689-A1 | PURINE COMPOUNDS POSSESSING ANTICANCER ACTIVITY | ACADEMIA SINICA (TW) | 2017-08-10 | — | — | WO | disclosed |