Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SORT1 | Q99523 | 4/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 9/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.46 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | JAK1 | P23458 | 1/20 | 0.44 |
| ▸ | TYK2 | P29597 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.42 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1428795 | 0.85 | SORT1 (0.52) | SORT1GRM5SMN1; SMN2RIPK1ALDH1A1 | |
| SCHEMBL4551723 | 0.83 | CA1 (0.47) | ADORA3ADORA1ADORA2AADORA2BJAK2 | |
| SCHEMBL20068960 | 0.80 | SORT1 (0.54) | SORT1ADORA3ADORA2AADORA2BPOLB | |
| SCHEMBL19150881 | 0.79 | ADORA3 (0.46) | ADORA3ADORA1ADORA2AADORA2BJAK2 | |
| SCHEMBL19151254 | 0.78 | CTSK (0.44) | ADORA3ADORA1ADORA2AADORA2BJAK2 | |
| SCHEMBL14667358 | 0.76 | CYP1A2 (0.56) | SORT1ADORA1POLBGRM5RIPK1 | |
| SCHEMBL8240613 | 0.76 | RAB9A (0.59) | NPC1RAB9APOLBTP53SMN1; SMN2 | |
| SCHEMBL13922914 | 0.76 | RAB9A (0.59) | NPC1RAB9APOLBTP53SMN1; SMN2 | |
| SCHEMBL4551457 | 0.76 | SMN1; SMN2 (0.65) | ADORA3ADORA1ADORA2AADORA2BNPC1 | |
| SCHEMBL19176885 | 0.75 | ATM (0.48) | SORT1POLBTDP1GRM5RIPK1 |
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-2651899-B1 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | HOFFMANN LA ROCHE (CH) | 2017-05-31 | — | — | EP | disclosed |