Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | BCL9 | O00512 | 1/20 | 0.37 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28021725 | 0.82 | ADORA2A (0.38) | ADORA2APOLBGRIN1GRIN2BCYP1A2 | |
| SCHEMBL16669003 | 0.78 | MEN1 (0.43) | ADORA2APOLBRAB9AGAAMAPT | |
| SCHEMBL28021741 | 0.74 | LTA4H (0.43) | ADORA2APOLBGRIN1GRIN2BCYP1A2 | |
| SCHEMBL2791412 | 0.71 | CYP2C19 (0.43) | POLBCYP1A2CYP2C9CYP2C19MAOB | |
| SCHEMBL27758389 | 0.70 | LMNA (0.36) | RAB9ALMNA | |
| SCHEMBL6016810 | 0.69 | GAA (0.41) | POLBCYP1A2CYP2C9CYP2C19MAOB | |
| SCHEMBL5959134 | 0.68 | MAOB (0.41) | POLBCYP1A2CYP2C9CYP2C19MAOB | |
| SCHEMBL5959150 | 0.68 | MAOB (0.40) | POLBCYP1A2CYP2C9CYP2C19MAOB | |
| SCHEMBL27933983 | 0.67 | GPR84 (0.35) | MAPT | |
| 4-Nitrophenyl Acetate SCHEMBL74985 | 0.66 | GAA (0.66) | POLBMAOBGAAMAPK1MAPT |
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-104768932-A | Heteroaryl inhibitors of PDE4 | TETRA DISCOVERY PARTNERS LLC | 2015-07-08 | — | — | CN | disclosed |