Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 3/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | BRS3 | P32247 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.33 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2067615 | 0.80 | CYP1A2 (0.43) | CYP11B2CYP11B1CNR2CNR1BRS3 | |
| SCHEMBL13724879 | 0.78 | CYP11B2 (0.40) | CYP11B2CYP11B1CNR2CNR1BRS3 | |
| SCHEMBL19779527 | 0.77 | CNR1 (0.41) | CYP11B2CYP11B1CNR2CNR1BRS3 | |
| SCHEMBL13724881 | 0.76 | CYP11B2 (0.39) | CYP11B2CYP11B1CNR2CNR1BRS3 | |
| SCHEMBL10292299 | 0.75 | CNR1 (0.47) | CNR2CNR1BRS3KCNN4PLCG1 | |
| SCHEMBL15759771 | 0.73 | CNR1 (0.47) | CNR2CNR1BRS3KCNN4PLCG1 | |
| SCHEMBL7878737 | 0.72 | CYP11B2 (0.41) | CYP11B2CYP11B1CYP19A1CYP2C9 | |
| SCHEMBL18649391 | 0.72 | KIF11 (0.32) | — | |
| SCHEMBL3465729 | 0.71 | LMNA (0.61) | CYP11B2CYP11B1KCNN4PLCG1CYP19A1 | |
| SCHEMBL2067607 | 0.71 | DGAT1 (0.48) | CYP11B2CYP11B1CNR2CNR1CYP19A1 |
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-2701512-B1 | ALDOSTERONE SYNTHASE INHIBITORS | MERCK SHARP & DOHME (US) | 2017-04-05 | — | — | EP | disclosed |