Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | DNMT1 | P26358 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | DNMT3B | Q9UBC3 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | APEX1 | P27695 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL21914170 | 0.90 | ALDH1A1 (0.64) | ALDH1A1GAADNMT1KMT2APKM | |
| SCHEMBL18171786 | 0.81 | ALDH1A1 (0.58) | ALDH1A1GAAKMT2APKMPOLB | |
| SCHEMBL18171789 | 0.81 | ALDH1A1 (0.58) | ALDH1A1GAAKMT2APKMPOLB | |
| SCHEMBL21914148 | 0.79 | ALDH1A1 (0.52) | ALDH1A1GAADNMT1KMT2APKM | |
| SCHEMBL29459253 | 0.78 | ALDH1A1 (0.77) | ALDH1A1GAAKMT2APKMPOLB | |
| SCHEMBL28661085 | 0.78 | ALDH1A1 (0.77) | ALDH1A1GAAKMT2APKMPOLB | |
| SCHEMBL7840770 | 0.78 | ALDH1A1 (0.77) | ALDH1A1GAAKMT2APKMPOLB | |
| SCHEMBL7270563 | 0.78 | ALDH1A1 (0.77) | ALDH1A1GAAKMT2APKMPOLB | |
| SCHEMBL29459410 | 0.78 | ALDH1A1 (0.77) | ALDH1A1GAAKMT2APKMPOLB | |
| SCHEMBL28678716 | 0.77 | KMT2A (0.49) | ALDH1A1GAADNMT1KMT2APKM |
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-2020053373-A1 | NOVEL TRF1 MODULATORS AND ANALOGUES THEREOF | Fundación Del Sector Público Estatal Centro Nacional De Investigaciones Oncológicas Carlos III (F.S.P. CNIO) (ES) | 2020-03-19 | — | — | WO | disclosed |