Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | NOS1 | P29475 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 4/20 | 0.43 |
| ▸ | BACE1 | P56817 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | DAO | P14920 | 2/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Benzylthiouracil SCHEMBL2353689 | 0.84 | BCL2 (0.41) | ALDH1A1HPGDHSD17B10 | |
| SCHEMBL4447913 | 0.79 | HRH4 (0.43) | NOS1KDM4E | |
| SCHEMBL13153731 | 0.79 | NOS1 (0.51) | KCNH2NOS1ESR1BACE1ESR2 | |
| SCHEMBL11918070 | 0.76 | — | — | |
| SCHEMBL27360764 | 0.76 | BACE1 (0.44) | KCNH2NOS1ESR1BACE1ESR2 | |
| Propylthiouracil SCHEMBL4446870 | 0.74 | SREBF2 (0.42) | NOS1BACE1KDM4EALDH1A1GPR84 | |
| Propylthiouracil SCHEMBL5548120 | 0.73 | SREBF2 (0.41) | NOS1BACE1KDM4EALDH1A1 | |
| SCHEMBL11584381 | 0.73 | PLA2G7 (0.33) | KCNH2 | |
| SCHEMBL8943881 | 0.71 | NOS2 (0.43) | KCNH2ESR1ESR2KDM4EHPGD | |
| SCHEMBL11672382 | 0.71 | KCNH2 (0.73) | KCNH2NOS1ESR1BACE1ESR2 |
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-1058589-A | Tetrahydropyrimidinederivatives derivatives | SHELL INT RESEARCH (NL) | 1992-02-12 | — | — | CN | disclosed |