Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 13/20 | 0.45 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.42 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3909203 | 0.83 | CA1 (0.52) | — | |
| SCHEMBL3063215 | 0.81 | CA1 (0.41) | CYP17A1PRKCZCYP3A4 | |
| SCHEMBL20873066 | 0.78 | PRKCZ (0.64) | CYP17A1PRKCZCYP11B2CYP11B1CYP3A4 | |
| SCHEMBL7127239 | 0.76 | ALDH1A1 (0.48) | — | |
| SCHEMBL28481339 | 0.76 | ROCK2 (0.41) | PRKCZCYP3A4KCNH2 | |
| SCHEMBL27329478 | 0.72 | CYP11B1 (0.53) | CYP17A1PRKCZCYP11B2CYP11B1CYP3A4 | |
| SCHEMBL115053 | 0.71 | CYP3A4 (0.56) | PRKCZCYP3A4KCNH2 | |
| SCHEMBL29546384 | 0.71 | CYP3A4 (0.56) | PRKCZCYP3A4KCNH2 | |
| SCHEMBL10094643 | 0.70 | CYP11B2 (0.54) | CYP17A1PRKCZCYP11B2CYP11B1CYP3A4 | |
| SCHEMBL5617403 | 0.70 | CYP11B2 (0.53) | CYP17A1PRKCZCYP11B2CYP11B1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3921308-A1 | SODIUM-HYDROGEN EXCHANGER 3 INHIBITOR COMPOUNDS | ELI LILLY AND COMPANY (US) | 2021-12-15 | — | — | EP | disclosed |
| WO-2020231770-A1 | SODIUM-HYDROGEN EXCHANGER 3 INHIBITOR COMPOUNDS | ELI LILLY AND COMPANY (US) | 2020-11-19 | — | — | WO | disclosed |