Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2B | P41595 | 2/20 | 0.51 |
| ▸ | HTR6 | P50406 | 1/20 | 0.51 |
| ▸ | KIT | P10721 | 2/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 9/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 6/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | AGPAT2 | O15120 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 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 | |
|---|---|---|---|---|
| SCHEMBL17896628 | 0.90 | HTR2B (0.46) | HTR2BHTR6KITCYP11B2CYP11B1 | |
| SCHEMBL17896629 | 0.88 | PTGS2 (0.49) | HTR2BHTR6KITCYP11B2CYP11B1 | |
| SCHEMBL17896627 | 0.86 | PTGS2 (0.51) | HTR2BHTR6KITCYP11B2CYP11B1 | |
| SCHEMBL17883795 | 0.85 | CYP11B2 (0.47) | HTR2BHTR6KITCYP11B2CYP11B1 | |
| SCHEMBL17896630 | 0.84 | NPBWR1 (0.48) | HTR2BHTR6KITCYP11B2CYP11B1 | |
| SCHEMBL17896626 | 0.84 | HTR2B (0.67) | HTR2BHTR6KITCYP11B2CYP11B1 | |
| SCHEMBL167098 | 0.83 | MEN1 (0.57) | HTR2BHTR6KITAGPAT2PIK3CA | |
| SCHEMBL10175601 | 0.81 | HTR2B (0.43) | HTR2BHTR6KITCYP11B2CYP11B1 | |
| SCHEMBL17883786 | 0.81 | CYP11B2 (0.46) | HTR2BKITCYP11B2CYP11B1CYP19A1 | |
| SCHEMBL17896614 | 0.78 | CYP11B2 (0.49) | HTR2BCYP11B2CYP11B1CYP19A1HTR2C |
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 |