Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.63 |
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | MITF | O75030 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | TYR | P14679 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL22579360 | 0.96 | MAOB (0.59) | MAOBHTTMAPTKDM4EMEN1 | |
| SCHEMBL8345349 | 0.85 | KDM4E (0.66) | MAOBHTTMAPTKDM4EMEN1 | |
| SCHEMBL11474550 | 0.85 | KDM4E (0.66) | MAOBHTTMAPTKDM4EMEN1 | |
| SCHEMBL22579332 | 0.85 | ADH5 (0.59) | MAOBHTTMAPTKDM4EMEN1 | |
| SCHEMBL1238620 | 0.82 | ESR1 (0.67) | MAOBHTTMAPTKDM4EMEN1 | |
| SCHEMBL1238616 | 0.82 | ESR1 (0.67) | MAOBHTTMAPTKDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL7328751 | 0.81 | ESR1 (0.65) | MAOBMAPTKDM4EMEN1MITF | |
| Hydrochloric Acid SCHEMBL7328757 | 0.81 | ESR1 (0.65) | MAOBMAPTKDM4EMEN1MITF | |
| SCHEMBL22579265 | 0.81 | MAOB (0.63) | MAOBHTTMEN1KMT2AESR1 | |
| SCHEMBL16789347 | 0.81 | MAOB (0.63) | MAOBHTTMAPTKDM4EMEN1 |
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-109232586-A | A kind of synthetic method of the more imidazole salts cage compounds of three-dimensional | 西北大学 | 2019-01-18 | — | — | CN | claimed |
| CN-109232586-A | A kind of synthetic method of the more imidazole salts cage compounds of three-dimensional | 西北大学 | 2019-01-18 | — | — | CN | disclosed |