Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 15/20 | 0.40 |
| ▸ | ACLY | P53396 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | TRPV3 | Q8NET8 | 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 | |
|---|---|---|---|---|
| SCHEMBL19013609 | 0.81 | NR1H2 (0.41) | NR1H2ACLYNR1H3CCR2TRPV3 | |
| SCHEMBL16339758 | 0.81 | CCR2 (0.46) | NR1H2ACLYNR1H3CCR2CA12 | |
| SCHEMBL16339228 | 0.80 | NR1H2 (0.41) | NR1H2ACLYNR1H3CCR2 | |
| SCHEMBL29631833 | 0.80 | NR1H2 (0.42) | NR1H2ACLYNR1H3CCR2CA12 | |
| SCHEMBL4242068 | 0.80 | NR1H2 (0.40) | NR1H2ACLYNR1H3BACE1CCR2 | |
| SCHEMBL19013556 | 0.79 | NR1H2 (0.39) | NR1H2ACLYNR1H3BACE1CCR2 | |
| SCHEMBL29631908 | 0.79 | NR1H2 (0.39) | NR1H2ACLYNR1H3BACE1CCR2 | |
| SCHEMBL24554901 | 0.77 | NR1H2 (0.38) | NR1H2ACLYNR1H3BACE1CCR2 | |
| SCHEMBL7416344 | 0.73 | NR1H2 (0.42) | NR1H2NR1H3BACE1CCR2TRPV3 | |
| SCHEMBL30438541 | 0.72 | CYP11B1 (0.43) | NR1H2ACLYNR1H3TRPV3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3013333-B1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C | MERCK SHARP & DOHME (US) | 2019-03-27 | — | — | EP | disclosed |