Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKLR | P30613 | 13/20 | 0.67 |
| ▸ | NAMPT | P43490 | 1/20 | 0.49 |
| ▸ | CYP46A1 | Q9Y6A2 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL21976172 | 0.83 | PKLR (0.68) | PKLRCYP46A1ALDH1A1LMNA | |
| SCHEMBL21976325 | 0.83 | PKLR (0.67) | PKLRCYP46A1ALDH1A1LMNACHRM2 | |
| SCHEMBL21976568 | 0.82 | PKLR (0.70) | PKLRCYP46A1CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL21976639 | 0.81 | PKLR (0.52) | PKLRCYP3A4ALDH1A1LMNA | |
| SCHEMBL21976577 | 0.80 | PKLR (0.68) | PKLRCYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL16084021 | 0.80 | PKLR (1.00) | PKLR | |
| SCHEMBL21975989 | 0.80 | PKLR (0.66) | PKLRCYP46A1CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL21976611 | 0.80 | PKLR (0.59) | PKLR | |
| SCHEMBL21976622 | 0.79 | PKLR (0.70) | PKLR | |
| SCHEMBL21976246 | 0.79 | PKLR (0.65) | PKLRCYP46A1ALDH1A1LMNA |
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-2970189-B1 | THERAPEUTIC COMPOUNDS AND COMPOSITIONS | AGIOS PHARMACEUTICALS INC (US) | 2020-05-06 | — | — | EP | disclosed |