Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 6/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29640184 | 1.00 | ALDH1A1 (0.37) | ALDH1A1MAPTGAATDP1CA1 | |
| SCHEMBL29457193 | 1.00 | ALDH1A1 (0.37) | ALDH1A1MAPTGAATDP1CA1 | |
| SCHEMBL17313286 | 0.86 | KMT2A (0.39) | ALDH1A1MAPTGAATDP1NPSR1 | |
| SCHEMBL14903758 | 0.85 | ALDH1A1 (0.39) | ALDH1A1MAPTGAATDP1NPSR1 | |
| SCHEMBL14889681 | 0.85 | ALDH1A1 (0.39) | ALDH1A1MAPTGAATDP1NPSR1 | |
| SCHEMBL14889682 | 0.85 | ALDH1A1 (0.39) | ALDH1A1MAPTGAATDP1NPSR1 | |
| SCHEMBL14856132 | 0.81 | ALDH1A1 (0.33) | ALDH1A1MAPTGAAKDM4ELMNA | |
| SCHEMBL14856131 | 0.81 | ALDH1A1 (0.33) | ALDH1A1MAPTGAAKDM4ELMNA | |
| SCHEMBL883108 | 0.81 | ALDH1A1 (0.33) | ALDH1A1MAPTGAAKDM4ELMNA | |
| SCHEMBL21112253 | 0.80 | CA1 (0.39) | ALDH1A1MAPTCA1CA2NPSR1 |
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-111212832-A | 1-benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors | 吉利德科学公司 | 2020-05-29 | — | — | CN | disclosed |