Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 7/20 | 0.50 |
| ▸ | CA2 | P00918 | 7/20 | 0.50 |
| ▸ | CA9 | Q16790 | 7/20 | 0.50 |
| ▸ | LIPG | Q9Y5X9 | 8/20 | 0.43 |
| ▸ | LPL | P06858 | 7/20 | 0.43 |
| ▸ | P4HB | P07237 | 1/20 | 0.42 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | F11 | P03951 | 3/20 | 0.41 |
| ▸ | F2 | P00734 | 2/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.41 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.41 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15739649 | 0.84 | CA1 (0.53) | CA1CA2CA9LIPGLPL | |
| SCHEMBL31642217 | 0.81 | CA1 (0.48) | CA1CA2CA9LIPGLPL | |
| SCHEMBL28941474 | 0.80 | CXCR2 (0.38) | CA1CA2CA9CXCR2 | |
| SCHEMBL21241695 | 0.79 | CA1 (0.49) | CA1CA2CA9LIPGLPL | |
| SCHEMBL419695 | 0.79 | CA2 (0.57) | CA1CA2CA9LIPGLPL | |
| SCHEMBL16278473 | 0.78 | CA2 (0.52) | CA1CA2CA9LIPGLPL | |
| SCHEMBL29265908 | 0.77 | GAA (0.41) | CA1CA2CA9LIPGLPL | |
| SCHEMBL1128752 | 0.77 | CA1 (0.59) | CA1CA2CA9LIPGLPL | |
| SCHEMBL3500384 | 0.77 | LIPG (0.49) | CA1CA2CA9LIPGLPL | |
| SCHEMBL16897972 | 0.76 | CA2 (0.52) | CA1CA2CA9LIPGLPL |
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-111655681-B | Heterocyclylamino-substituted triazoles as modulators of Rho-related protein kinases | 莱德克斯制药公共有限公司 | 2024-01-05 | — | — | CN | disclosed |