Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 2/20 | 0.55 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.55 |
| ▸ | MET | P08581 | 1/20 | 0.48 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.47 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.44 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.43 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.43 |
| ▸ | CTPS1 | P17812 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10175468 | 0.89 | MET (0.46) | CYP11B2CYP11B1METMAPK10CYP17A1 | |
| SCHEMBL460529 | 0.85 | NAMPT (0.53) | CYP11B2CYP11B1METMAPK10CYP17A1 | |
| SCHEMBL17897056 | 0.84 | MET (0.49) | CYP11B2CYP11B1METMAPK10CYP17A1 | |
| SCHEMBL10175134 | 0.84 | CYP11B1 (0.59) | CYP11B2CYP11B1NLRP3CYP1A2TSHR | |
| SCHEMBL17883783 | 0.84 | CYP11B2 (0.43) | CYP11B2CYP11B1NLRP3RPS6KA5KDM4E | |
| SCHEMBL14314688 | 0.83 | CYP11B2 (0.56) | CYP11B2CYP11B1NLRP3RPS6KA5KDM4E | |
| SCHEMBL17883790 | 0.83 | USP2 (0.63) | CYP11B2CYP11B1METMAPK10CYP17A1 | |
| SCHEMBL10175612 | 0.81 | CYP11B2 (0.63) | CYP11B2CYP11B1METMAPK10CYP17A1 | |
| SCHEMBL10175594 | 0.78 | CYP11B2 (0.81) | CYP11B2CYP11B1NLRP3RPS6KA5KDM4E | |
| SCHEMBL1378639 | 0.78 | CYP11B2 (0.62) | CYP11B2CYP11B1NLRP3RPS6KA5KDM4E |
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 4 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 | claimed |
| 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 |