Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.37 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.37 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.37 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.37 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.33 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL561433 | 0.83 | BRD4 (0.39) | CHEK1SLC6A1GABRA5GABRB2SLC6A12 | |
| SCHEMBL1035792 | 0.80 | CYP1A2 (0.47) | CHEK1SLC6A1GABRA5GABRB2SLC6A12 | |
| SCHEMBL29953294 | 0.80 | CYP1A2 (0.47) | CHEK1SLC6A1GABRA5GABRB2SLC6A12 | |
| SCHEMBL29956504 | 0.80 | CYP1A2 (0.47) | CHEK1SLC6A1GABRA5GABRB2SLC6A12 | |
| SCHEMBL22776149 | 0.79 | CHEK1 (0.45) | CHEK1HPGDSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL734651 | 0.79 | CHEK1 (0.45) | CHEK1HPGDSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4146870 | 0.79 | CHEK1 (0.45) | CHEK1HPGDSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL16771733 | 0.79 | SLC6A2 (0.39) | ALDH1A1SLC6A1GABRA5GABRB2SLC6A12 | |
| Hydrochloric Acid SCHEMBL15572481 | 0.79 | CYP1A2 (0.46) | CHEK1SLC6A1GABRA5GABRB2SLC6A12 | |
| SCHEMBL1856077 | 0.79 | SLC6A2 (0.39) | ALDH1A1SLC6A1GABRA5GABRB2SLC6A12 |
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-109790145-A | Dihydropyrimidines and its preparation method and application | 四川科伦博泰生物医药股份有限公司 | 2019-05-21 | — | — | CN | disclosed |