Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.46 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.46 |
| ▸ | F7 | P08709 | 1/20 | 0.44 |
| ▸ | F3 | P13726 | 1/20 | 0.44 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.44 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.44 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.44 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.44 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.44 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.44 |
| ▸ | SIRT4 | Q9Y6E7 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12197985 | 1.00 | ESR1 (0.49) | ESR1TBXAS1ALDH1A1GAAAPP | |
| SCHEMBL9720311 | 0.83 | TBXAS1 (0.46) | ESR1TBXAS1ALDH1A1GAAAPP | |
| SCHEMBL7518865 | 0.82 | TBXAS1 (0.45) | ESR1TBXAS1ALDH1A1GAAAPP | |
| SCHEMBL17135323 | 0.80 | ALDH1A1 (0.52) | ESR1TBXAS1ALDH1A1GAAAPP | |
| SCHEMBL6921845 | 0.80 | ALDH1A1 (0.52) | ESR1TBXAS1ALDH1A1GAAAPP | |
| SCHEMBL18469285 | 0.80 | ALDH1A1 (0.52) | ESR1TBXAS1ALDH1A1GAAAPP | |
| Ammonia Solution, Strong SCHEMBL27802137 | 0.79 | TBXAS1 (0.50) | ESR1TBXAS1ALDH1A1GAAAPP | |
| SCHEMBL2377741 | 0.77 | TBXAS1 (0.49) | ESR1TBXAS1ALDH1A1GAAAPP | |
| SCHEMBL991179 | 0.77 | TBXAS1 (0.49) | ESR1TBXAS1ALDH1A1GAAAPP | |
| SCHEMBL12197984 | 0.76 | AAK1 (0.45) | ALDH1A1HPGDHTTTP53CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2760831-B1 | VIRAL REPLICATION INHIBITORS | UNIV LEUVEN KATH (BE) | 2019-08-07 | — | — | EP | disclosed |