Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.56 |
| ▸ | CA2 | P00918 | 4/20 | 0.56 |
| ▸ | ESR1 | P03372 | 4/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.50 |
| ▸ | MGLL | Q99685 | 2/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | PLG | P00747 | 1/20 | 0.39 |
| ▸ | F12 | P00748 | 1/20 | 0.39 |
| ▸ | F11 | P03951 | 1/20 | 0.39 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.39 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.38 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28423137 | 0.95 | CA1 (0.59) | CA1CA2ESR1ESR2MGLL | |
| SCHEMBL28394087 | 0.93 | CA1 (0.61) | CA1CA2ESR1ESR2MGLL | |
| SCHEMBL23312667 | 0.89 | CA2 (0.61) | CA1CA2MGLLPLGF12 | |
| SCHEMBL19057545 | 0.89 | CA2 (0.61) | CA1CA2MGLLPLGF12 | |
| SCHEMBL30040853 | 0.89 | CA2 (0.61) | CA1CA2MGLLPLGF12 | |
| SCHEMBL2510400 | 0.89 | CA1 (0.69) | CA1CA2ESR1ESR2MGLL | |
| SCHEMBL1889241 | 0.89 | CA1 (0.69) | CA1CA2ESR1ESR2MGLL | |
| SCHEMBL29445737 | 0.89 | CA1 (0.69) | CA1CA2ESR1ESR2MGLL | |
| SCHEMBL20489328 | 0.86 | CA1 (0.53) | CA1CA2ESR1ESR2MGLL | |
| SCHEMBL3778895 | 0.85 | CA1 (0.69) | CA1CA2ESR1ESR2MGLL |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106554352-B | Polycyclic aromatic hydrocarbon derivative containing naphthyridine group and application thereof | 北京鼎材科技有限公司 | 2020-12-08 | — | — | CN | disclosed |
| CN-106554323-B | Phenazine group-substituted polycyclic aromatic hydrocarbon derivative and application thereof | 北京鼎材科技有限公司 | 2020-07-03 | — | — | CN | disclosed |