Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.66 |
| ▸ | MAPT | P10636 | 6/20 | 0.61 |
| ▸ | TP53 | P04637 | 2/20 | 0.61 |
| ▸ | TGM2 | P21980 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.53 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.52 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | RCE1 | Q9Y256 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5659376 | 0.86 | ACHE (0.69) | ACHEMAPTTP53TGM2ALDH1A1 | |
| SCHEMBL28075277 | 0.84 | CA12 (0.67) | ACHEMAPTTP53TGM2ALDH1A1 | |
| SCHEMBL5659656 | 0.84 | ACHE (0.66) | ACHEMAPTTP53TGM2ALDH1A1 | |
| SCHEMBL5430327 | 0.83 | CHRM1 (0.63) | ACHEMAPTTP53TGM2ALDH1A1 | |
| SCHEMBL18954858 | 0.82 | ACHE (0.63) | ACHEMAPTTP53TGM2ALDH1A1 | |
| SCHEMBL18954786 | 0.82 | CA1 (0.76) | CA12CA1CA2CA9 | |
| SCHEMBL18954824 | 0.81 | CA1 (0.60) | ACHEALDH1A1ALDH2ALDH3A1CA12 | |
| SCHEMBL5658723 | 0.81 | ACHE (0.62) | ACHEMAPTTP53TGM2ALDH1A1 | |
| SCHEMBL578250 | 0.80 | ACHE (0.74) | ACHEMAPTTP53ALDH1A1LMNA | |
| SCHEMBL28070701 | 0.80 | MAPT (0.57) | ACHEMAPTTP53TGM2ALDH1A1 |
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-105541808-A | Metronidazole-isatin type compound as well as preparation method and application thereof | UNIV JISHOU | 2016-05-04 | — | — | CN | disclosed |