Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 7/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28437803 | 0.92 | KCNH2 (0.59) | KCNH2TP53SMN1; SMN2DNM1 | |
| SCHEMBL3218912 | 0.87 | KCNH2 (0.51) | KCNH2TP53CYP2D6SIGMAR1GRM5 | |
| SCHEMBL22731174 | 0.83 | KCNH2 (0.59) | KCNH2SIGMAR1GRM5 | |
| SCHEMBL28175144 | 0.81 | GRM5 (0.51) | KCNH2SMN1; SMN2SIGMAR1GRM5 | |
| SCHEMBL502029 | 0.81 | KCNH2 (0.46) | KCNH2TP53SMN1; SMN2SIGMAR1DNM1 | |
| SCHEMBL6722509 | 0.79 | KDM4E (0.44) | KCNH2KDM4ECYP1A2CYP3A4MAPT | |
| SCHEMBL6722507 | 0.79 | KCNH2 (0.41) | KCNH2SMN1; SMN2HSD17B10GRM5 | |
| SCHEMBL21121189 | 0.79 | KCNH2 (0.41) | KCNH2TP53SIGMAR1GRM5DHFR | |
| SCHEMBL3888886 | 0.79 | CALM1 (0.50) | KCNH2TP53SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL6319821 | 0.78 | KCNH2 (0.50) | KCNH2TP53SIGMAR1DHFR |
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-114656314-A | Preparation method of internal alkyne compound | 许昌学院 | 2022-06-24 | — | — | CN | disclosed |
| WO-2007041166-A2 | HIGHLY OXYGEN PERMEABLE RIGID CONTACT LENSES FROM POLYACETYLENES | THE LAGADO CORPORATION (US) | 2007-04-12 | — | — | WO | disclosed |