Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20852141 | 1.00 | ALDH1A1 (0.33) | ALDH1A1TP53HSP90AA1CYP3A4THRB | |
| SCHEMBL3162144 | 0.83 | ALDH1A1 (0.33) | ALDH1A1TP53HSP90AA1CYP3A4THRB | |
| SCHEMBL13995854 | 0.82 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL20197396 | 0.82 | METAP1 (0.30) | ALDH1A1TP53HSP90AA1CYP3A4THRB | |
| SCHEMBL21283092 | 0.82 | METAP1 (0.30) | ALDH1A1TP53HSP90AA1CYP3A4THRB | |
| SCHEMBL16549819 | 0.82 | — | — | |
| SCHEMBL13995959 | 0.82 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL23058168 | 0.79 | ALDH1A1 (0.31) | ALDH1A1TP53HSP90AA1CYP3A4THRB | |
| SCHEMBL16234248 | 0.77 | — | — | |
| SCHEMBL18327442 | 0.77 | — | — |
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-2018013803-A1 | NOVEL FATTY ACID MODIFIED UROCORTIN-2 ANALOGS FOR THE TREATMENT OF DIABETES AND CHRONIC KIDNEY DISEASE | ELI LILLY AND COMPANY (US) | 2018-01-18 | — | — | WO | disclosed |