Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALKBH1 | Q13686 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL553163 | 0.91 | KLKB1 (0.52) | ITKCYP1A2CYP3A4GABRA1GABRB2 | |
| SCHEMBL5106095 | 0.87 | CYP1A2 (0.47) | CYP1A2CYP3A4GABRA1GABRB2CYP11B1 | |
| SCHEMBL30825007 | 0.86 | NPY2R (0.41) | CYP1A2CYP3A4GABRA1GABRB2CYP11B1 | |
| SCHEMBL23212254 | 0.86 | CYP1A2 (0.55) | CYP1A2CYP3A4GABRA1GABRB2CYP11B1 | |
| SCHEMBL949168 | 0.86 | CYP1A2 (0.55) | CYP1A2CYP3A4GABRA1GABRB2CYP11B1 | |
| SCHEMBL12913218 | 0.86 | CYP1A2 (0.55) | CYP1A2CYP3A4GABRA1GABRB2CYP11B1 | |
| SCHEMBL31043467 | 0.83 | CYP1A2 (0.45) | CYP1A2CYP3A4GABRA1GABRB2CYP11B1 | |
| SCHEMBL25911826 | 0.83 | CYP1A2 (0.45) | CYP1A2CYP3A4GABRA1GABRB2CYP11B1 | |
| SCHEMBL27398435 | 0.83 | CYP1A2 (0.45) | CYP1A2CYP3A4GABRA1GABRB2CYP11B1 | |
| SCHEMBL25911742 | 0.82 | CYP1A2 (0.46) | CYP1A2CYP3A4GABRA1GABRB2CYP11B1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023146809-A9 | PLASMA KALLIKREIN INHIBITORS | MERCK SHARP & DOHME LLC (US) | 2024-03-14 | — | — | WO | disclosed |
| WO-2023146809-A1 | PLASMA KALLIKREIN INHIBITORS | MERCK SHARP & DOHME LLC (US) | 2023-08-03 | — | — | WO | disclosed |