Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.40 |
| ▸ | APAF1 | O14727 | 2/20 | 0.40 |
| ▸ | SOAT1 | P35610 | 10/20 | 0.39 |
| ▸ | S100A4 | P26447 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.39 |
| ▸ | PDIA4 | P13667 | 1/20 | 0.38 |
| ▸ | PDIA3 | P30101 | 1/20 | 0.38 |
| ▸ | PDIA6 | Q15084 | 1/20 | 0.38 |
| ▸ | TXNDC5 | Q8NBS9 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | XIAP | P98170 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20230420 | 0.84 | ALDH1A1 (0.43) | ALDH1A1PTPN1APAF1SOAT1S100A4 | |
| SCHEMBL13611366 | 0.78 | ALDH1A1 (0.47) | ALDH1A1PTPN1APAF1SOAT1S100A4 | |
| SCHEMBL7234454 | 0.78 | ALDH1A1 (0.47) | ALDH1A1PTPN1APAF1SOAT1S100A4 | |
| SCHEMBL4300496 | 0.78 | ALDH1A1 (0.47) | ALDH1A1PTPN1APAF1SOAT1S100A4 | |
| SCHEMBL4543140 | 0.72 | MEN1 (0.46) | ALDH1A1PTPN1APAF1MAPTKDM4E | |
| SCHEMBL4543141 | 0.72 | MEN1 (0.46) | ALDH1A1PTPN1APAF1MAPTKDM4E | |
| Anthraquinone SCHEMBL27601272 | 0.68 | MEN1 (0.63) | ALDH1A1PTPN1APAF1SOAT1S100A4 | |
| Anthraquinone SCHEMBL27605254 | 0.66 | PTPN1 (0.61) | ALDH1A1PTPN1APAF1SOAT1S100A4 | |
| SCHEMBL28015795 | 0.65 | SLC6A2 (0.42) | ALDH1A1APAF1MAPTKDM4ECYP3A4 | |
| SCHEMBL6530791 | 0.65 | TRPA1 (0.81) | ALDH1A1KDM4ECYP3A4HPGDMAPK1 |
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-2018102427-A1 | NAPHTHOFURAN DERIVATIVES, PREPARATION, AND METHODS OF USE THEREOF | BOSTON BIOMEDICAL, INC. (US) | 2018-06-07 | — | — | WO | disclosed |