Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL28442495 | 0.89 | AAK1 (0.39) | AAK1MAPTHPGDALDH1A1TSHR | |
| SCHEMBL61961 | 0.85 | ALDH1A1 (0.52) | AAK1MAPTHPGDALDH1A1TSHR | |
| SCHEMBL28520580 | 0.85 | CYP2D6 (0.40) | AAK1MAPTHPGDALDH1A1TSHR | |
| SCHEMBL28216105 | 0.83 | AAK1 (0.42) | AAK1MAPTHPGDALDH1A1TSHR | |
| SCHEMBL16971068 | 0.75 | AAK1 (0.39) | AAK1MAPTHPGDALDH1A1TSHR | |
| SCHEMBL3423364 | 0.74 | CYP2D6 (0.43) | AAK1PCSK9GAAMEN1CYP2D6 | |
| SCHEMBL16971250 | 0.73 | AAK1 (0.39) | AAK1MAPTHPGDALDH1A1TSHR | |
| SCHEMBL28521318 | 0.72 | KDM4E (0.40) | AAK1ALDH1A1KDM4EGAACYP2D6 | |
| SCHEMBL654820 | 0.71 | KDM4A (0.45) | HPGDALDH1A1KDM4ERAB9ABRD4 | |
| SCHEMBL18427975 | 0.70 | AAK1 (0.50) | AAK1CYP2C9SYK |
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-111479813-A | Triazolobenzazepines as vasopressin V1A receptor antagonists | 吉瑞工厂 | 2020-07-31 | — | — | CN | disclosed |