Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | MLYCD | O95822 | 1/20 | 0.41 |
| ▸ | IDH1 | O75874 | 2/20 | 0.41 |
| ▸ | BRD4 | O60885 | 10/20 | 0.41 |
| ▸ | KIT | P10721 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 3/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17896762 | 0.82 | BRD4 (0.48) | BRD4LMNACREBBP | |
| SCHEMBL10175602 | 0.81 | HTR2B (0.51) | HTR2BHTR6KITCYP11B1CYP11B2 | |
| SCHEMBL10175442 | 0.81 | BRD4 (0.46) | BRD4CREBBPCYP11B1CYP11B2 | |
| SCHEMBL17896628 | 0.79 | HTR2B (0.46) | HTR2BHTR6KITCYP11B1CYP11B2 | |
| SCHEMBL17896629 | 0.78 | PTGS2 (0.49) | HTR2BHTR6KITCYP11B1CYP11B2 | |
| SCHEMBL17896739 | 0.77 | BRD4 (0.48) | BRD4CREBBPCYP11B1CYP11B2 | |
| SCHEMBL17896691 | 0.77 | BRD4 (0.44) | BRD4CREBBPCYP11B1CYP11B2 | |
| SCHEMBL17896630 | 0.77 | NPBWR1 (0.48) | HTR2BHTR6KITCYP11B1CYP11B2 | |
| SCHEMBL17896627 | 0.77 | PTGS2 (0.51) | HTR2BHTR6KITCYP11B1CYP11B2 | |
| SCHEMBL17896626 | 0.75 | HTR2B (0.67) | HTR2BHTR6KITCYP11B1CYP11B2 |
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 |