Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 3/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21914108 | 0.81 | ALDH1A1 (0.58) | ALDH1A1GAAPOLBL3MBTL1SMN1; SMN2 | |
| SCHEMBL21914204 | 0.80 | ALDH1A1 (0.57) | ALDH1A1GAAPOLBL3MBTL1SMN1; SMN2 | |
| SCHEMBL21914450 | 0.78 | ALDH1A1 (0.58) | ALDH1A1GAAPOLBL3MBTL1SMN1; SMN2 | |
| SCHEMBL7270796 | 0.77 | ALDH1A1 (0.74) | ALDH1A1GAAPOLBL3MBTL1SMN1; SMN2 | |
| SCHEMBL7270800 | 0.77 | ALDH1A1 (0.74) | ALDH1A1GAAPOLBL3MBTL1SMN1; SMN2 | |
| SCHEMBL21914152 | 0.77 | POLB (0.58) | ALDH1A1GAAPOLBL3MBTL1SMN1; SMN2 | |
| SCHEMBL12646713 | 0.76 | ALDH1A1 (0.72) | ALDH1A1GAAPOLBL3MBTL1SMN1; SMN2 | |
| SCHEMBL14865943 | 0.76 | ALDH1A1 (0.72) | ALDH1A1GAAPOLBL3MBTL1SMN1; SMN2 | |
| SCHEMBL21914178 | 0.76 | ALDH1A1 (0.63) | ALDH1A1GAAPOLBL3MBTL1PKM | |
| SCHEMBL4861809 | 0.75 | ALDH1A1 (1.00) | ALDH1A1GAAPOLBL3MBTL1SMN1; SMN2 |
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 |