Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.38 |
| ▸ | TYR | P14679 | 1/20 | 0.38 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.38 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.37 |
| ▸ | ABAT | P80404 | 1/20 | 0.37 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.35 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.35 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.34 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17863581 | 0.82 | MAPK1 (0.37) | SMN1; SMN2MAPK1 | |
| SCHEMBL19218117 | 0.76 | SMN1; SMN2 (0.54) | CYP2A6ALDH1A1TYRCYP2A13TRIM24 | |
| SCHEMBL9946119 | 0.74 | ACHE (0.38) | ALDH1A1KDM4ESMN1; SMN2MAPK1 | |
| SCHEMBL16018872 | 0.73 | — | — | |
| SCHEMBL488467 | 0.72 | ESR2 (0.42) | HSD17B10ALDH1A1TYRKDM4EMAPK1 | |
| SCHEMBL11258072 | 0.72 | CYP2A6 (0.41) | CYP2A6HSD17B10ALDH1A1TYRCYP2A13 | |
| SCHEMBL14724654 | 0.72 | ERN1 (0.33) | — | |
| SCHEMBL9946121 | 0.72 | MEN1 (0.46) | ALDH1A1MAPK1 | |
| SCHEMBL1099421 | 0.71 | ALDH1A1 (0.53) | CYP2A6HSD17B10ALDH1A1TYRCYP2A13 | |
| SCHEMBL14223474 | 0.71 | ALDH1A1 (0.44) | CYP2A6HSD17B10ALDH1A1TYRCYP2A13 |
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 |