Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 6/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | TACR2 | P21452 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SHBG | P04278 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL10346537 | 0.79 | SPHK1 (0.50) | SPHK1SLC6A3CA2CA1ALDH1A1 | |
| SCHEMBL83869 | 0.74 | CA2 (0.65) | SLC6A3CA2CA1ALDH1A1HSD17B10 | |
| SCHEMBL10338528 | 0.74 | SPHK1 (0.53) | SPHK1CA2CA1ALDH1A1HSD17B10 | |
| SCHEMBL25947259 | 0.73 | SPHK1 (0.44) | SPHK1SLC6A3CA2CA1ALDH1A1 | |
| SCHEMBL28020965 | 0.73 | SPHK1 (0.44) | SPHK1SLC6A3CA2CA1ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL28990998 | 0.72 | CA2 (0.62) | SLC6A3CA2CA1ALDH1A1HSD17B10 | |
| SCHEMBL10568421 | 0.72 | ALDH1A1 (0.65) | SLC6A3CA2CA1ALDH1A1HSD17B10 | |
| SCHEMBL9839955 | 0.72 | CA2 (0.62) | SLC6A3CA2CA1ALDH1A1HSD17B10 | |
| SCHEMBL25947262 | 0.72 | CA2 (0.44) | SPHK1SLC6A3CA2CA1ALDH1A1 | |
| SCHEMBL10720546 | 0.72 | THRA (0.47) | SPHK1SLC6A3CA2CA1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023142725-A1 | CYCLOPROPANE SKELETON MONOPHOSPHINE LIGAND AND PALLADIUM COMPLEX THEREOF AS WELL AS PREPARATION METHOD AND USE THEREOF | 南开大学 | 2023-08-03 | — | — | WO | disclosed |