Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 6/20 | 1.00 |
| ▸ | SGMS1 | Q86VZ5 | 4/20 | 1.00 |
| ▸ | SGMS2 | Q8NHU3 | 4/20 | 1.00 |
| ▸ | CBS | P35520 | 1/20 | 0.66 |
| ▸ | MAPT | P10636 | 3/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | ATM | Q13315 | 2/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | DPP4 | P27487 | 1/20 | 0.58 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.57 |
| ▸ | GAA | P10253 | 2/20 | 0.57 |
| ▸ | SLC5A1 | P13866 | 2/20 | 0.57 |
| ▸ | SLC5A2 | P31639 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | TTR | P02766 | 1/20 | 0.57 |
| ▸ | ESR1 | P03372 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Malabaricone A SCHEMBL9117944 | 0.89 | ACHE (1.00) | ACHESGMS1SGMS2CBSMAPT | |
| SCHEMBL1843502 | 0.86 | ACHE (0.76) | ACHESGMS1SGMS2MAPTMEN1 | |
| Malabaricone C SCHEMBL7784918 | 0.84 | ACHE (1.00) | ACHESGMS1SGMS2CBSMAPT | |
| SCHEMBL24824292 | 0.84 | ACHE (1.00) | ACHESGMS1SGMS2CBSMAPT | |
| SCHEMBL24824289 | 0.84 | ACHE (1.00) | ACHESGMS1SGMS2CBSMAPT | |
| SCHEMBL15061036 | 0.84 | ACHE (0.73) | ACHESGMS1SGMS2CBSMAPT | |
| SCHEMBL15061037 | 0.83 | ACHE (0.70) | ACHESGMS1SGMS2CBSMAPT | |
| SCHEMBL28161066 | 0.81 | ACHE (0.87) | ACHESGMS1SGMS2CBSMAPT | |
| SCHEMBL28895928 | 0.80 | ACHE (0.88) | ACHESGMS1SGMS2CBSMAPT | |
| SCHEMBL6401949 | 0.80 | ACHE (0.66) | ACHESGMS1SGMS2CBSMAPT |
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-2023053144-A1 | SYNERGISTIC COMPOSITION OF MALABARICONE B AND CONVENTIONAL ANTIBIOTICS AGAINST MULTIDRUG RESISTANT STAPHYLOCOCCUS AUREUS INFECTIONS | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGN. OF SOC. ACT (ACT XXI OF 1860) (IN) | 2023-04-06 | — | — | WO | claimed |