Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Etocarlide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.78 |
| ▸ | GAA | P10253 | 4/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.68 |
| ▸ | MEN1 | O00255 | 5/20 | 0.68 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.68 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | POLB | P06746 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | NSD2 | O96028 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | MPI | P34949 | 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 | |
|---|---|---|---|---|
| Etocarlide SCHEMBL103618 | 0.88 | MAPT (1.00) | MAPTGAAALDH1A1KMT2AMEN1 | |
| Etocarlide SCHEMBL9263 | 0.88 | MAPT (1.00) | MAPTGAAALDH1A1KMT2AMEN1 | |
| Etocarlide SCHEMBL20447982 | 0.87 | MAPT (0.96) | MAPTGAAALDH1A1KMT2AMEN1 | |
| Etocarlide SCHEMBL650594 | 0.87 | MAPT (0.96) | MAPTGAAALDH1A1KMT2AMEN1 | |
| Etocarlide SCHEMBL27935 | 0.87 | MAPT (0.96) | MAPTGAAALDH1A1KMT2AMEN1 | |
| Etocarlide SCHEMBL3459278 | 0.87 | MAPT (0.96) | MAPTGAAALDH1A1KMT2AMEN1 | |
| Etocarlide SCHEMBL20994029 | 0.87 | MAPT (0.96) | MAPTGAAALDH1A1KMT2AMEN1 | |
| Etocarlide SCHEMBL20658914 | 0.87 | MAPT (0.96) | MAPTGAAALDH1A1KMT2AMEN1 | |
| Etocarlide SCHEMBL21694441 | 0.87 | MAPT (0.96) | MAPTGAAALDH1A1KMT2AMEN1 | |
| Etocarlide SCHEMBL5832656 | 0.87 | MAPT (0.96) | MAPTGAAALDH1A1KMT2AMEN1 |
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-2563826-A2 | HIGH REFRACTIVE INDEX COMPOSITION | Battelle Memorial Institute (US) | 2013-03-06 | — | — | EP | disclosed |
| WO-2011139856-A2 | HIGH REFRACTIVE INDEX COMPOSITION | BATTELLE MEMORIAL INSTITUTE (US) | 2011-11-10 | — | — | WO | disclosed |