Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.63 |
| ▸ | GAA | P10253 | 1/20 | 0.63 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 4/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | APEX1 | P27695 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL21914448 | 0.79 | ALDH1A1 (0.50) | ALDH1A1GAAAADATPOLBKMT2A | |
| SCHEMBL478614 | 0.78 | ALDH1A1 (1.00) | ALDH1A1GAAAADATPOLBKMT2A | |
| SCHEMBL4861809 | 0.78 | ALDH1A1 (1.00) | ALDH1A1GAAAADATPOLBKMT2A | |
| SCHEMBL30216480 | 0.78 | ALDH1A1 (1.00) | ALDH1A1GAAAADATPOLBKMT2A | |
| SCHEMBL392680 | 0.78 | ALDH1A1 (1.00) | ALDH1A1GAAAADATPOLBKMT2A | |
| Hydrochloric Acid SCHEMBL7840775 | 0.77 | ALDH1A1 (0.97) | ALDH1A1GAAAADATPOLBKMT2A | |
| SCHEMBL21914154 | 0.76 | ALDH1A1 (0.59) | ALDH1A1GAAAADATPOLBKMT2A | |
| SCHEMBL21914173 | 0.76 | AADAT (0.72) | ALDH1A1GAAAADATPOLBKMT2A | |
| SCHEMBL30707750 | 0.76 | ALDH1A1 (0.76) | ALDH1A1GAAAADATPOLBKMT2A | |
| SCHEMBL29159237 | 0.76 | ALDH1A1 (0.76) | ALDH1A1GAAAADATPOLBKMT2A |
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 |