Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | PKLR | P30613 | 15/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL21976568 | 0.87 | PKLR (0.70) | PKLRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL21976363 | 0.83 | PKLR (0.67) | PKLR | |
| SCHEMBL21977150 | 0.83 | PKLR (0.68) | ALDH1A1LMNAPKLRCA12CA1 | |
| SCHEMBL16083844 | 0.81 | PKLR (0.77) | PKLR | |
| SCHEMBL21975972 | 0.80 | PKLR (0.70) | ALDH1A1LMNAPKLR | |
| SCHEMBL21976374 | 0.80 | PKLR (0.69) | ALDH1A1LMNAPKLRCA12CA1 | |
| SCHEMBL21976386 | 0.79 | PKLR (0.43) | ALDH1A1LMNAPKLR | |
| SCHEMBL21975982 | 0.78 | PKLR (0.67) | ALDH1A1LMNAPKLRCA12CA1 | |
| SCHEMBL21976239 | 0.78 | PKLR (0.70) | PKLR | |
| SCHEMBL21976235 | 0.76 | PKLR (0.69) | PKLR |
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 |