Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKLR | P30613 | 11/20 | 0.54 |
| ▸ | AVPR1A | P37288 | 3/20 | 0.54 |
| ▸ | CYP46A1 | Q9Y6A2 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL16049701 | 0.95 | AVPR1A (0.58) | PKLRAVPR1ACYP46A1CYP3A4CYP2C8 | |
| SCHEMBL15689449 | 0.82 | PKLR (0.50) | PKLRAVPR1A | |
| SCHEMBL16084357 | 0.81 | PKLR (0.60) | PKLRCYP46A1CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL16051297 | 0.77 | AVPR1A (0.69) | AVPR1ACYP46A1CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL23581415 | 0.76 | AVPR1A (0.59) | PKLRAVPR1ACYP46A1CYP3A4CYP2C8 | |
| SCHEMBL3833018 | 0.75 | AVPR1A (0.62) | PKLRAVPR1ACYP46A1CYP3A4CYP2C8 | |
| SCHEMBL16130135 | 0.74 | PKLR (0.64) | PKLRAVPR1ACYP46A1 | |
| SCHEMBL21650933 | 0.74 | ALDH1A1 (0.62) | ALDH1A1 | |
| SCHEMBL19562173 | 0.73 | KDM4E (0.68) | ALDH1A1LMNA | |
| SCHEMBL264516 | 0.73 | HPGD (0.76) | ALDH1A1LMNA |
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 |