Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 2/20 | 0.47 |
| ▸ | MGLL | Q99685 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | GPR183 | P32249 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | PKLR | P30613 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP21A2 | P08686 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP7A1 | P22680 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30408465 | 0.92 | SCN9A (0.41) | SCN9AMGLLMEN1KMT2AAKR1C3 | |
| SCHEMBL25146250 | 0.89 | MGLL (0.46) | SCN9AMGLLMEN1KMT2APKM | |
| SCHEMBL25146099 | 0.88 | SCN9A (0.44) | SCN9AMGLLMEN1KMT2AAKR1C3 | |
| SCHEMBL25145978 | 0.86 | MGLL (0.46) | SCN9AMGLLAKR1C3PKLR | |
| SCHEMBL25145698 | 0.86 | MGLL (0.45) | SCN9AMGLLAKR1C3PKLR | |
| SCHEMBL25145889 | 0.85 | MGLL (0.48) | SCN9AMGLLMEN1KMT2AAKR1C3 | |
| SCHEMBL30409356 | 0.83 | MGLL (0.41) | SCN9AMGLLAKR1C3PKLR | |
| SCHEMBL30409546 | 0.82 | MGLL (0.40) | SCN9AMGLLAKR1C3PKLR | |
| SCHEMBL25146128 | 0.82 | MGLL (0.49) | MGLLMEN1KMT2AAKR1C3ALDH1A1 | |
| SCHEMBL25146288 | 0.80 | HDAC8 (0.43) | MGLLAKR1C3PKLR |
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-2023062049-A1 | HETEROCYCLIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2023-04-20 | — | — | WO | disclosed |