Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 6/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.40 |
| ▸ | MEN1 | O00255 | 7/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.40 |
| ▸ | RECQL | P46063 | 6/20 | 0.40 |
| ▸ | CTDSP1 | Q9GZU7 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 10/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 8/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 7/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL17777363 | 0.78 | ADORA2B (0.49) | ADORA2BADORA3ADORA2AADORA1KDM4E | |
| SCHEMBL26046037 | 0.76 | KMO (0.54) | ADORA3ADORA1KMT2APOLBALDH1A1 | |
| SCHEMBL17742697 | 0.74 | ADORA3 (0.52) | ADORA2BADORA3ADORA2AADORA1KDM4E | |
| SCHEMBL17742751 | 0.72 | PDE10A (0.50) | ADORA2BADORA3ADORA2AADORA1KDM4E | |
| SCHEMBL28317349 | 0.71 | CYP1A2 (0.46) | ADORA2AADORA1MEN1KMT2AALDH1A1 | |
| SCHEMBL17773166 | 0.71 | NPC1 (0.43) | ADORA2BADORA3ADORA2AADORA1KDM4E | |
| SCHEMBL17773184 | 0.71 | ADORA2A (0.40) | ADORA2BADORA3ADORA2AADORA1KDM4E | |
| SCHEMBL22013344 | 0.69 | NPC1 (0.41) | ADORA2BADORA3ADORA2AADORA1KDM4E | |
| SCHEMBL28876222 | 0.69 | ALDH1A1 (0.41) | ADORA2AKDM4ETDP1L3MBTL1ALDH1A1 | |
| SCHEMBL1445860 | 0.68 | MIF (0.52) | KDM4EMEN1KMT2ARECQLPOLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-110214012-A | Azole pyrimidines for the treatment of cancer-related diseases | 艾库斯生物科学有限公司 | 2019-09-06 | — | — | CN | disclosed |