Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 3/20 | 0.63 |
| ▸ | PDE10A | Q9Y233 | 14/20 | 0.46 |
| ▸ | PDE2A | O00408 | 12/20 | 0.43 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | PDE11A | Q9HCR9 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 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 | |
|---|---|---|---|---|
| SCHEMBL463351 | 0.89 | CYP11B2 (0.67) | CYP11B2PDE10APDE2APDE7ANOS2 | |
| SCHEMBL10175449 | 0.86 | CYP11B2 (0.60) | CYP11B2PDE10APDE2APDE7ANOS3 | |
| SCHEMBL10175463 | 0.83 | CYP11B2 (0.67) | CYP11B2PDE10ACYP11B1 | |
| SCHEMBL17896713 | 0.83 | CYP11B2 (0.53) | CYP11B2PDE10APDE2ACYP11B1 | |
| SCHEMBL10175118 | 0.83 | CYP11B2 (0.57) | CYP11B2PDE10ACYP11B1POLBSMN1; SMN2 | |
| SCHEMBL17896706 | 0.82 | CYP11B2 (0.61) | CYP11B2PDE10APDE2APDE7ACYP11B1 | |
| SCHEMBL17896708 | 0.79 | CYP11B2 (0.68) | CYP11B2CYP11B1 | |
| SCHEMBL10175447 | 0.78 | CYP11B2 (0.60) | CYP11B2CYP11B1 | |
| SCHEMBL10175445 | 0.77 | CYP11B2 (1.00) | CYP11B2CYP11B1 | |
| SCHEMBL17897047 | 0.74 | CYP11B2 (0.61) | CYP11B2PDE10APDE2ACYP11B1POLB |
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 3 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 |
| WO-2012012478-A1 | ALDOSTERONE SYNTHASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-01-26 | — | — | WO | disclosed |