Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | UBE2N | P61088 | 1/20 | 0.58 |
| ▸ | HTR6 | P50406 | 15/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 1/20 | 0.45 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.44 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2134631 | 0.88 | KDM4E (0.67) | KDM4EUBE2NHTR6ALDH1A1PTGDR2 | |
| SCHEMBL945672 | 0.84 | KDM4E (0.58) | KDM4EUBE2NHTR6HTR2ALMNA | |
| SCHEMBL947412 | 0.84 | KDM4E (0.58) | KDM4EUBE2NHTR6LMNASMN1; SMN2 | |
| SCHEMBL30542061 | 0.83 | KDM4E (0.77) | KDM4EUBE2NHTR6ALDH1A1SMN1; SMN2 | |
| SCHEMBL946340 | 0.83 | KDM4E (0.77) | KDM4EUBE2NHTR6ALDH1A1SMN1; SMN2 | |
| SCHEMBL723339 | 0.83 | KDM4E (0.81) | KDM4EUBE2NHTR6ALDH1A1HTR7 | |
| SCHEMBL29576861 | 0.83 | KDM4E (0.81) | KDM4EUBE2NHTR6ALDH1A1HTR7 | |
| SCHEMBL6914849 | 0.82 | ALDH1A1 (0.52) | KDM4EUBE2NHTR6ALDH1A1LMNA | |
| SCHEMBL948143 | 0.82 | HTR6 (0.55) | KDM4EUBE2NHTR6ALDH1A1CYP3A4 | |
| SCHEMBL948577 | 0.82 | HTR6 (0.58) | KDM4EUBE2NHTR6ALDH1A1CYP3A4 |
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-109942545-A | Competitive sour retarding agent of potassium ion containing indole structure and preparation method thereof and purposes | 中国药科大学 | 2019-06-28 | — | — | CN | disclosed |