Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 4/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.35 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.33 |
| ▸ | KMO | O15229 | 2/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17486289 | 0.85 | NOTUM (0.33) | CYP11B2CYP11B1AAK1NOTUMKMO | |
| SCHEMBL19295094 | 0.79 | LIPE (0.32) | — | |
| SCHEMBL17486065 | 0.75 | LDHA (0.32) | — | |
| SCHEMBL17486189 | 0.75 | CTSS (0.37) | CTSSCTSKALDH1A1L3MBTL1 | |
| SCHEMBL20805715 | 0.75 | CTSS (0.30) | AAK1CTSS | |
| SCHEMBL17485964 | 0.74 | LDHA (0.33) | — | |
| SCHEMBL17486030 | 0.72 | BACE1 (0.33) | — | |
| SCHEMBL17486134 | 0.72 | TDP1 (0.35) | CYP11B2S1PR1ALDH1A1L3MBTL1 | |
| SCHEMBL17486250 | 0.72 | LDHA (0.44) | ALDH1A1 | |
| SCHEMBL17485973 | 0.72 | HSP90AA1 (0.35) | ALDH1A1SLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016015815-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2016-02-04 | — | — | WO | disclosed |