Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 9/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 8/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17896660 | 0.93 | CYP11B2 (0.43) | CYP11B2CYP11B1POLBSMN1; SMN2KCNH2 | |
| SCHEMBL17896741 | 0.92 | CYP11B2 (0.47) | CYP11B2CYP11B1POLBSMN1; SMN2KCNH2 | |
| SCHEMBL17896693 | 0.84 | PDE10A (0.50) | CYP11B2CYP11B1POLBSMN1; SMN2KCNH2 | |
| SCHEMBL432410 | 0.84 | CYP11B2 (0.56) | CYP11B2CYP11B1POLBSMN1; SMN2ATM | |
| SCHEMBL10175154 | 0.82 | MEN1 (0.54) | CYP11B2CYP11B1SMN1; SMN2KCNH2AOC3 | |
| SCHEMBL10249024 | 0.81 | SMN1; SMN2 (0.47) | CYP11B2CYP11B1POLBSMN1; SMN2KCNH2 | |
| SCHEMBL17896743 | 0.81 | CYP11B2 (0.60) | CYP11B2CYP11B1SMN1; SMN2ALOX15CYP3A4 | |
| SCHEMBL10176215 | 0.81 | POLB (0.46) | CYP11B2CYP11B1POLBSMN1; SMN2KCNH2 | |
| SCHEMBL17896740 | 0.81 | CYP11B2 (0.67) | CYP11B2CYP11B1AOC3ATMHTT | |
| SCHEMBL10176223 | 0.79 | SMN1; SMN2 (0.50) | CYP11B2CYP11B1POLBSMN1; SMN2KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9382226-B2 | Aldosterone synthase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-07-05 | — | — | US | disclosed |
| US-9382226-B2 | Aldosterone synthase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-07-05 | — | — | US | disclosed |