Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 10/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 9/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CDC7 | O00311 | 1/20 | 0.38 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | PRKACA | P17612 | 1/20 | 0.38 |
| ▸ | FLT1 | P17948 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | CLK2 | P49760 | 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 | |
|---|---|---|---|---|
| SCHEMBL4766014 | 0.88 | ADORA1 (0.47) | ADORA1ADORA2AADORA3CYP2A6ADORA2B | |
| SCHEMBL4773528 | 0.85 | PTGDR (0.43) | CYP2A6NPC1TP53PKMTSHR | |
| SCHEMBL4771758 | 0.82 | ADORA1 (0.43) | ADORA1ADORA2AADORA3CYP2A6ADORA2B | |
| SCHEMBL4768684 | 0.81 | ADORA2A (0.43) | ADORA1ADORA2AADORA3CYP2A6ADORA2B | |
| SCHEMBL4769102 | 0.81 | KMT2A (0.55) | ADORA1ADORA2AADORA3NPC1RAB9A | |
| SCHEMBL4765953 | 0.80 | LMNA (0.52) | NPC1TP53PKMTSHRRAB9A | |
| SCHEMBL4770635 | 0.80 | CYP1A2 (0.52) | ADORA1ADORA2AADORA3TSHRSMN1; SMN2 | |
| SCHEMBL4773165 | 0.79 | CYP2A6 (0.39) | CYP2A6NPC1TP53PKMTSHR | |
| SCHEMBL4773182 | 0.79 | CYP2A6 (0.39) | CYP2A6NPC1TP53PKMTSHR | |
| SCHEMBL4768829 | 0.78 | KDM4E (0.44) | ADORA1ADORA2AADORA3CYP2A6ADORA2B |
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-1878733-A1 | Pyrimidine derivatives as ALK-5 inhibitors | Novartis AG (CH) | 2008-01-16 | — | — | EP | disclosed |