Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 2/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 10/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | ACP3 | P15309 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28111157 | 0.89 | HTT (0.34) | CASRPTGS2ACP3KDM4E | |
| SCHEMBL31013537 | 0.76 | ALDH1A1 (0.46) | CYP3A4 | |
| SCHEMBL1272692 | 0.71 | CYP2C19 (0.48) | KDM4E | |
| SCHEMBL28330130 | 0.67 | MIF (0.41) | MCHR1KCNH2PTGS2 | |
| SCHEMBL28111761 | 0.65 | IDO1 (0.47) | CASRACP3KDM4E | |
| SCHEMBL28102822 | 0.62 | HSP90AA1 (0.42) | PTGS2CYP3A4KDM4E | |
| SCHEMBL21216561 | 0.61 | CA1 (0.38) | CYP3A4ACP3CA1CA2CA9 | |
| SCHEMBL28199860 | 0.60 | CA2 (0.35) | MCHR1CA2 | |
| SCHEMBL11937825 | 0.60 | KDM4E (0.59) | KDM4E | |
| SCHEMBL28111864 | 0.60 | PKM (0.51) | HSD11B1KDM4E |
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-106257976-A | Human plasma kallikrein inhibitors | 拜奥克里斯特制药公司 | 2016-12-28 | — | — | CN | disclosed |