Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | TYMS | P04818 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ATP4A | P20648 | 2/20 | 0.36 |
| ▸ | ATP4B | P51164 | 2/20 | 0.36 |
| ▸ | FAAH | O00519 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23399059 | 0.83 | ADORA3 (0.45) | ADORA3ADORA2AFLT3GSK3BMEN1 | |
| SCHEMBL23398714 | 0.78 | ESR2 (0.42) | HSP90AA1HSP90AB1GABRA1GABRB2MEN1 | |
| SCHEMBL23400151 | 0.77 | ADORA3 (0.40) | HSP90AA1HSP90AB1TYMSADORA3ADORA2A | |
| SCHEMBL23402912 | 0.77 | GABRA1 (0.39) | HSP90AA1HSP90AB1TYMSADORA3ADORA2A | |
| SCHEMBL28947953 | 0.77 | ADORA3 (0.41) | ADORA3ADORA2AFLT3GSK3BKMT2A | |
| SCHEMBL23403679 | 0.77 | ADORA3 (0.41) | HSP90AA1ADORA3ADORA2AFLT3GSK3B | |
| SCHEMBL23401684 | 0.74 | ADORA3 (0.42) | ADORA3ADORA2AFLT3GSK3BKMT2A | |
| SCHEMBL23399006 | 0.74 | GABRA1 (0.41) | ADORA3ADORA2AFLT3GSK3BGABRA1 | |
| SCHEMBL11825632 | 0.74 | ADORA3 (0.43) | ADORA3ADORA2AFLT3GSK3BSMN1; SMN2 | |
| SCHEMBL23399603 | 0.73 | NPC1 (0.42) | HSP90AA1HSP90AB1ADORA3ADORA2AFLT3 |
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-3828159-A1 | STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS | BASF SE (DE) | 2021-06-02 | — | — | EP | disclosed |