Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STAT3 | P40763 | 5/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.66 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | LCK | P06239 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | PRKACA | P17612 | 1/20 | 0.41 |
| ▸ | PRKACG | P22612 | 1/20 | 0.41 |
| ▸ | PRKACB | P22694 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20189157 | 1.00 | STAT3 (0.66) | STAT3ALDH1A1HPGDMAPTLCK | |
| SCHEMBL20187646 | 0.82 | STAT3 (0.64) | STAT3ALDH1A1HPGDMAPTLCK | |
| SCHEMBL14656628 | 0.81 | STAT3 (0.71) | STAT3ALDH1A1MAPTGAAMEN1 | |
| SCHEMBL29364489 | 0.81 | STAT3 (0.71) | STAT3ALDH1A1MAPTGAAMEN1 | |
| SCHEMBL29362059 | 0.81 | STAT3 (0.71) | STAT3ALDH1A1MAPTGAAMEN1 | |
| SCHEMBL14656586 | 0.81 | STAT3 (0.71) | STAT3ALDH1A1MAPTGAAMEN1 | |
| Napabucasin SCHEMBL29349770 | 0.80 | STAT3 (1.00) | STAT3ALDH1A1HPGDMAPTKDM4E | |
| Napabucasin SCHEMBL1883845 | 0.80 | STAT3 (1.00) | STAT3ALDH1A1HPGDMAPTKDM4E | |
| SCHEMBL1881893 | 0.79 | STAT3 (0.69) | STAT3ALDH1A1MAPTCA1CA2 | |
| SCHEMBL29364953 | 0.79 | STAT3 (0.69) | STAT3ALDH1A1MAPTCA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018096401-A1 | NEW NAPHTHO[2,3-B]FURAN DERIVATIVES | BAN HITOSHI (JP) | 2018-05-31 | — | — | WO | claimed |
| WO-2018096401-A1 | NEW NAPHTHO[2,3-B]FURAN DERIVATIVES | BAN HITOSHI (JP) | 2018-05-31 | — | — | WO | disclosed |