Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | THRB | P10828 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| P-Xylene SCHEMBL2990077 | 0.91 | CA2 (0.50) | ACHECA2CA1CA5ACA9 | |
| Trifluoromethanesulfonic Acid SCHEMBL576036 | 0.89 | LMNA (0.52) | CA2CA1CA5ACA9LMNA | |
| P-Cresol SCHEMBL31258814 | 0.84 | ACHE (0.72) | ACHECA2CA1CA5ACA9 | |
| P-Cresol SCHEMBL195722 | 0.84 | ACHE (0.72) | ACHECA2CA1CA5ACA9 | |
| Trifluoromethanesulfonic Acid SCHEMBL1713466 | 0.82 | KIF11 (0.54) | CA2CA1CA9LMNAALDH1A1 | |
| P-Cresol SCHEMBL28950342 | 0.81 | ACHE (0.68) | ACHECA2CA1CA5ACA9 | |
| Trifluoromethanesulfonic Acid SCHEMBL485503 | 0.81 | ALDH1A1 (0.49) | CA2CA1CA5ACA9LMNA | |
| Trifluoromethanesulfonic Acid SCHEMBL6248784 | 0.81 | CA2 (0.42) | ACHECA2CA1CA5ACA9 | |
| Trifluoromethanesulfonic Acid SCHEMBL3347804 | 0.81 | CA2 (0.42) | ACHECA2CA1CA5ACA9 | |
| Trifluoromethanesulfonic Acid SCHEMBL2123096 | 0.81 | ALDH1A1 (0.49) | CA2CA1CA5ACA9LMNA |
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-110903316-B | Phosphonate compound and preparation method and application thereof | 中南大学 | 2021-03-02 | — | — | CN | disclosed |