Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.44 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.44 |
| ▸ | CACNB2 | Q08289 | 1/20 | 0.44 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.44 |
| ▸ | HMGCR | P04035 | 2/20 | 0.42 |
| ▸ | F7 | P08709 | 2/20 | 0.42 |
| ▸ | F3 | P13726 | 2/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | PPARG | P37231 | 2/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 3/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | TERT | O14746 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | BLM | P54132 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9698578 | 1.00 | ABCG2 (0.44) | ABCG2CACNA2D1CACNB2CACNA1CHMGCR | |
| SCHEMBL10062564 | 0.85 | PTPN7 (0.45) | HMGCRKMT2AMEN1MAPTBLM | |
| SCHEMBL30940603 | 0.85 | PTPN7 (0.45) | HMGCRKMT2AMEN1MAPTBLM | |
| SCHEMBL9468881 | 0.85 | PTPN7 (0.45) | HMGCRKMT2AMEN1MAPTBLM | |
| SCHEMBL5461848 | 0.85 | PTPN7 (0.45) | HMGCRKMT2AMEN1MAPTBLM | |
| SCHEMBL9468951 | 0.85 | PTPN7 (0.45) | HMGCRKMT2AMEN1MAPTBLM | |
| SCHEMBL9468879 | 0.85 | PTPN7 (0.45) | HMGCRKMT2AMEN1MAPTBLM | |
| SCHEMBL4221274 | 0.80 | — | — | |
| SCHEMBL9618431 | 0.76 | HMGCR (0.37) | ABCG2CACNA2D1CACNB2CACNA1CHMGCR | |
| SCHEMBL9618430 | 0.76 | HMGCR (0.37) | ABCG2CACNA2D1CACNB2CACNA1CHMGCR |
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 |
|---|---|---|---|---|---|---|---|
| US-5082961-A | METHOD FOR THE PREPARATION OF AN ALKYNYL COMPOUND | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1992-01-21 | — | — | US | disclosed |