Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | STS | P08842 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 2/20 | 0.52 |
| ▸ | ALPL | P05186 | 6/20 | 0.50 |
| ▸ | ALPI | P09923 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.47 |
| ▸ | ALDH1B1 | P30837 | 1/20 | 0.47 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL10847170 | 0.86 | HPGD (0.72) | HSD11B1HPGDSTSMAOBALPL | |
| SCHEMBL28510448 | 0.81 | HSD11B1 (0.53) | HSD11B1STSRAB9A | |
| SCHEMBL30507295 | 0.81 | HSD11B1 (0.53) | HSD11B1STSRAB9A | |
| SCHEMBL28508245 | 0.80 | HSD11B1 (0.52) | HSD11B1 | |
| SCHEMBL28508234 | 0.80 | HSD11B1 (0.52) | HSD11B1 | |
| SCHEMBL28500203 | 0.80 | HSD11B1 (0.52) | HSD11B1HPGDSTSMAOB | |
| SCHEMBL30507233 | 0.80 | HSD11B1 (0.52) | HSD11B1 | |
| SCHEMBL18493227 | 0.79 | KDM4E (0.68) | HPGDSTSALDH1A1KDM4ECYP2C9 | |
| SCHEMBL2772042 | 0.78 | HSD11B1 (0.50) | HSD11B1HPGDSTSMAOBALDH1A1 | |
| SCHEMBL13155387 | 0.77 | HSD11B1 (0.48) | HSD11B1HPGDALDH1A1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112010844-B | Preparation method and application of N- (pyrimidine-2-yl) coumarin-7-amine derivative as protein kinase inhibitor | 中国药科大学 | 2023-07-25 | — | — | CN | disclosed |
| CN-112010844-A | Preparation method and application of N- (pyrimidine-2-yl) coumarin-7-amine derivative as protein kinase inhibitor | 中国药科大学 | 2020-12-01 | — | — | CN | disclosed |