Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | LDHA | P00338 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | GBA1 | P04062 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4770635 | 0.91 | CYP1A2 (0.52) | ADRB3ADORA2AALDH1A1TDP1IRAK4 | |
| SCHEMBL4775037 | 0.83 | EGFR (0.42) | EGFRKDM4ELDHAEPHX2SMN1; SMN2 | |
| SCHEMBL4773415 | 0.81 | ADORA2A (0.43) | ADORA2AALDH1A1KMT2AKDM4EMAPT | |
| SCHEMBL4776165 | 0.81 | CCKBR (0.52) | ALDH1A1MEN1POLBKMT2AEGFR | |
| SCHEMBL4774973 | 0.80 | ADRB2 (0.46) | ADRB2ADRB3ADORA2AALDH1A1MEN1 | |
| SCHEMBL4771758 | 0.79 | ADORA1 (0.43) | ADORA2APOLBKMT2ASMN1; SMN2HTT | |
| SCHEMBL4766014 | 0.77 | ADORA1 (0.47) | ADORA2AALDH1A1POLBSMN1; SMN2HTT | |
| SCHEMBL4773144 | 0.76 | ADORA2A (0.47) | ADORA2AALDH1A1KMT2AKDM4EMAPT | |
| SCHEMBL5024997 | 0.76 | ADORA2A (0.53) | ADORA2AWNT1DYRK1AADORA1CYP1A2 | |
| SCHEMBL4769102 | 0.76 | KMT2A (0.55) | ADORA2AALDH1A1MEN1POLBKMT2A |
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 |