Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.40 |
| ▸ | KIT | P10721 | 3/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.40 |
| ▸ | PIP4K2B | P78356 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL10175614 | 0.86 | SMN1; SMN2 (0.46) | SMN1; SMN2LMNABRPF1ALDH1A1DYRK1A | |
| SCHEMBL17883783 | 0.86 | CYP11B2 (0.43) | SMN1; SMN2LMNAALDH1A1DYRK1APOLB | |
| SCHEMBL10175616 | 0.86 | CYP11B1 (0.43) | SMN1; SMN2LMNABRPF1ALDH1A1DYRK1A | |
| SCHEMBL10175462 | 0.85 | KDM4E (0.42) | SMN1; SMN2LMNABRPF1ALDH1A1DYRK1A | |
| SCHEMBL17896756 | 0.84 | PTGS2 (0.45) | SMN1; SMN2LMNABRPF1ALDH1A1CA12 | |
| SCHEMBL460529 | 0.83 | NAMPT (0.53) | SMN1; SMN2LMNABRPF1ALDH1A1CYP11B1 | |
| SCHEMBL10175126 | 0.82 | CA12 (0.53) | CA12CA1CA2CA9CYP11B1 | |
| SCHEMBL17896718 | 0.80 | CYP11B2 (0.56) | CA12CA1CA2CA9CYP11B1 | |
| SCHEMBL17896665 | 0.77 | KDM4E (0.52) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL17896619 | 0.77 | NPC1 (0.51) | SMN1; SMN2ALDH1A1CA12CA1CA2 |
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 |