Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.51 |
| ▸ | CA2 | P00918 | 3/20 | 0.51 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29825395 | 0.87 | CA1 (0.42) | CA1CA2MGLLCA4CA6 | |
| SCHEMBL5162961 | 0.87 | CA1 (0.42) | CA1CA2MGLLCA4CA6 | |
| SCHEMBL3687907 | 0.85 | GSTP1 (0.55) | CA1CA2GSTP1HDAC4HDAC2 | |
| SCHEMBL3792915 | 0.85 | GSTP1 (0.55) | CA1CA2GSTP1HDAC4HDAC2 | |
| SCHEMBL18306183 | 0.85 | GSTP1 (0.42) | CA1CA2GSTP1HDAC4HDAC2 | |
| SCHEMBL28418452 | 0.84 | CYP1A2 (0.41) | CA1CA2MGLLGPR84ERBB2 | |
| SCHEMBL20067350 | 0.84 | CA1 (0.62) | CA1CA2GSTP1MGLLHDAC4 | |
| SCHEMBL28420833 | 0.84 | HDAC8 (0.42) | CA1CA2MGLLHDAC8ERBB2 | |
| SCHEMBL13682549 | 0.84 | CA1 (0.44) | CA1CA2MGLLESR2ESR1 | |
| SCHEMBL24728748 | 0.82 | ESR1 (0.52) | CA1CA2GSTP1HDAC4HDAC2 |
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 |