Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 2/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | LDHB | P07195 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | TTR | P02766 | 1/20 | 0.35 |
| ▸ | ALB | P02768 | 1/20 | 0.35 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.35 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28468360 | 0.79 | TOP1 (0.47) | GPR35LDHALDHBAKR1B1TTR | |
| SCHEMBL4645395 | 0.78 | ABCB11 (0.49) | ABCB11BACE1POLBHTTMEN1 | |
| SCHEMBL23621178 | 0.78 | MEN1 (0.48) | ABCB11GPR35LDHALDHBAKR1B1 | |
| SCHEMBL5635782 | 0.77 | ALDH1A1 (0.40) | ABCB11LDHALDHBAKR1B1BACE1 | |
| SCHEMBL5688964 | 0.76 | LMNA (0.43) | ABCB11BACE1POLBHTTMEN1 | |
| SCHEMBL9575667 | 0.76 | PDK1 (0.35) | ARGPR35PDK1PDK2PDK3 | |
| SCHEMBL10551343 | 0.75 | IMPDH2 (0.35) | ABCB11ARGPR35LDHALDHB | |
| SCHEMBL14659690 | 0.75 | CYP19A1 (0.46) | GPR35TTRALBBACE1POLB | |
| SCHEMBL10787227 | 0.75 | ABCB11 (0.42) | ABCB11BACE1HTTALDH1A1 | |
| SCHEMBL4641540 | 0.75 | POLB (0.43) | ABCB11BACE1POLBHTTMEN1 |
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-107001278-A | Tetrahydro isoquinoline derivative | UCB生物制药私人有限公司 | 2017-08-01 | — | — | CN | disclosed |