Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.40 |
| ▸ | CES1 | P23141 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KRAS | P01116 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19967292 | 0.82 | CES2 (0.42) | CES2CES1TDP1KMT2ATRPA1 | |
| SCHEMBL19967289 | 0.71 | TDP1 (0.40) | CES2CES1TDP1ERN1POLB | |
| SCHEMBL19967276 | 0.70 | CES2 (0.46) | CES2CES1TDP1ERN1POLB | |
| SCHEMBL1990301 | 0.68 | CES2 (0.55) | CES2CES1TDP1ERN1POLB | |
| SCHEMBL19102224 | 0.65 | CES2 (0.64) | CES2CES1TDP1ERN1POLB | |
| SCHEMBL7924194 | 0.64 | CES2 (0.50) | CES2CES1TDP1ERN1POLB | |
| SCHEMBL167447 | 0.64 | CES2 (0.64) | CES2CES1TDP1POLBKMT2A | |
| SCHEMBL17055823 | 0.64 | GAA (0.45) | CES2CES1POLBKMT2AALDH1A1 | |
| SCHEMBL13458195 | 0.63 | CES2 (0.39) | CES2CES1TDP1ERN1KMT2A | |
| Iodide SCHEMBL6190800 | 0.63 | CES2 (0.48) | CES2CES1TDP1ERN1POLB |
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-2018048969-A1 | MULTI-TARGETED HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2018-03-15 | — | — | WO | disclosed |