Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | HKDC1 | Q2TB90 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | G6PD | P11413 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11694300 | 0.80 | — | — | |
| SCHEMBL6138233 | 0.69 | — | — | |
| SCHEMBL450333 | 0.67 | — | — | |
| SCHEMBL5687562 | 0.65 | CYP3A4 (0.33) | MAPTCYP3A4CA1CA9 | |
| SCHEMBL125003 | 0.63 | — | — | |
| SCHEMBL13863801 | 0.63 | CA1 (0.37) | CA1CA9 | |
| SCHEMBL6524182 | 0.63 | — | — | |
| 2,6-Dimethoxyquinone SCHEMBL570683 | 0.63 | HKDC1 (1.00) | MAPTCYP3A4KDM4EMEN1MAPK1 | |
| SCHEMBL993549 | 0.62 | — | — | |
| SCHEMBL19397263 | 0.61 | — | — |
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-115466268-B | Oxaanthraquinone compound with antibacterial and anti-inflammatory activity, preparation method and application thereof, and pharmaceutical composition | 云南大学 | 2023-05-16 | — | — | CN | disclosed |