Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.59 |
| ▸ | RAB9A | P51151 | 3/20 | 0.59 |
| ▸ | NPC1 | O15118 | 2/20 | 0.59 |
| ▸ | GAA | P10253 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | ESR1 | P03372 | 1/20 | 0.56 |
| ▸ | CA7 | P43166 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | MAOA | P21397 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Ethyl Benzoate SCHEMBL1404143 | 0.92 | LMNA (0.68) | SMN1; SMN2RAB9ANPC1GAALMNA | |
| Ethyl Benzoate SCHEMBL5082003 | 0.90 | LMNA (0.66) | SMN1; SMN2RAB9ANPC1GAALMNA | |
| Ethyl Benzoate SCHEMBL25388294 | 0.90 | LMNA (0.70) | SMN1; SMN2RAB9ANPC1GAALMNA | |
| Ethyl Benzoate SCHEMBL2762273 | 0.90 | LMNA (0.70) | SMN1; SMN2RAB9ANPC1GAALMNA | |
| Ethyl Benzoate SCHEMBL55674 | 0.90 | LMNA (0.70) | SMN1; SMN2RAB9ANPC1GAALMNA | |
| Ethyl Benzoate SCHEMBL31518976 | 0.89 | LMNA (0.63) | SMN1; SMN2RAB9ANPC1GAALMNA | |
| Ethyl Benzoate SCHEMBL30886688 | 0.88 | LMNA (0.68) | SMN1; SMN2RAB9ANPC1GAALMNA | |
| Ethyl Benzoate SCHEMBL10340677 | 0.88 | LMNA (0.68) | SMN1; SMN2RAB9ANPC1GAALMNA | |
| Ethyl Benzoate SCHEMBL28365249 | 0.88 | LMNA (0.68) | SMN1; SMN2RAB9ANPC1GAALMNA | |
| Ethyl Benzoate SCHEMBL28871046 | 0.88 | LMNA (0.68) | SMN1; SMN2RAB9ANPC1GAALMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2516479-A2 | NEW INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS | BASF Corporation (US) | 2012-10-31 | — | — | EP | disclosed |
| WO-2011084691-A2 | NEW INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS | BASF CORPORATION (US) | 2011-07-14 | — | — | WO | disclosed |