Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.58 |
| ▸ | MEN1 | O00255 | 5/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | PKM | P14618 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | GFER | P55789 | 1/20 | 0.49 |
| ▸ | KDM1A | O60341 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7229750 | 0.93 | PKM (0.62) | ALDH1A1MEN1KMT2ATDP1KDM4E | |
| SCHEMBL7226067 | 0.84 | PKM (0.61) | ALDH1A1MEN1KMT2ATDP1KDM4E | |
| SCHEMBL7225299 | 0.84 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2ATDP1KDM4E | |
| SCHEMBL9711178 | 0.81 | KMT2A (0.60) | ALDH1A1MEN1KMT2ATDP1KDM4E | |
| SCHEMBL7224534 | 0.81 | KMT2A (0.52) | ALDH1A1MEN1KMT2ATDP1KDM4E | |
| SCHEMBL7225029 | 0.78 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2ATDP1HPGD | |
| SCHEMBL7221678 | 0.77 | CYTH2 (0.56) | ALDH1A1MEN1KMT2AHPGDPKM | |
| SCHEMBL7221797 | 0.77 | CYTH2 (0.43) | ALDH1A1MEN1KMT2APKMGAA | |
| SCHEMBL7223946 | 0.77 | CYTH2 (0.46) | ALDH1A1MEN1KMT2AHPGDPKM | |
| SCHEMBL7222033 | 0.76 | ALDH1A1 (0.39) | ALDH1A1MEN1KMT2AKDM4EPKM |
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-1112356-C | Nitromethylthiobenzene derivatives as inhibitors of aldose reductase | MERCK PATENT GMBH (DE) | 2003-06-25 | — | — | CN | disclosed |
| CN-1241997-A | Nitromethylthiobenzene derivatives as inhibitors of aldose reductase | MERCK PATENT GMBH (DE) | 2000-01-19 | — | — | CN | disclosed |