Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 5/20 | 0.60 |
| ▸ | ADRA2B | P18089 | 5/20 | 0.60 |
| ▸ | ADRA2C | P18825 | 5/20 | 0.60 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.60 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 6/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.53 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | DRD1 | P21728 | 2/20 | 0.53 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.53 |
| ▸ | DRD3 | P35462 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL28196899 | 1.00 | ADRA2A (0.60) | ADRA2AADRA2BADRA2CADRB1ADRB3 | |
| SCHEMBL18290662 | 0.82 | PDE2A (0.49) | LMNAFAAH | |
| SCHEMBL16649705 | 0.81 | AKT1 (0.45) | ADRA2AADRA2BADRA2CADRB1ADRB3 | |
| SCHEMBL16660435 | 0.79 | KIF11 (0.42) | FAAH | |
| SCHEMBL18285740 | 0.78 | PDE2A (0.50) | CYP2C9 | |
| SCHEMBL12497282 | 0.78 | SLC7A5 (0.43) | FAAH | |
| SCHEMBL703244 | 0.76 | KIF11 (0.46) | — | |
| SCHEMBL6145485 | 0.76 | ADRA2A (0.58) | ADRA2AADRA2BADRA2CADRB1ADRB3 | |
| SCHEMBL12498061 | 0.75 | KIF11 (0.43) | FAAH | |
| SCHEMBL12498064 | 0.75 | KIF11 (0.43) | FAAH |
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-103635472-B | Serine/threonine kinase inhibitor | 阵列生物制药公司 | 2018-01-12 | — | — | CN | disclosed |