Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.68 |
| ▸ | CES1 | P23141 | 5/20 | 0.68 |
| ▸ | GSK3B | P49841 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13679683 | 0.89 | CES2 (0.83) | CES2CES1ALDH1A1KMT2A | |
| SCHEMBL7013140 | 0.88 | ALDH1A1 (0.67) | CES2CES1GSK3BALDH1A1LMNA | |
| SCHEMBL121442 | 0.82 | — | — | |
| SCHEMBL167254 | 0.82 | CES2 (1.00) | CES2CES1GSK3BALDH1A1LMNA | |
| SCHEMBL5734655 | 0.82 | IDO1 (0.52) | CES2CES1GSK3BALDH1A1TDP1 | |
| SCHEMBL12375837 | 0.81 | CES2 (0.64) | CES2CES1GSK3BALDH1A1LMNA | |
| SCHEMBL1352549 | 0.81 | CES2 (1.00) | CES2CES1GSK3BALDH1A1LMNA | |
| SCHEMBL28417303 | 0.81 | CES2 (0.70) | CES2CES1GSK3BALDH1A1LMNA | |
| SCHEMBL20302436 | 0.79 | IDO1 (0.50) | CES2CES1GSK3BALDH1A1NPC1 | |
| SCHEMBL11030165 | 0.79 | IDO1 (0.50) | CES2CES1GSK3BALDH1A1TDP1 |
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-0999835-B1 | IMIDAZOLE DERIVATIVES AS MDR MODULATORS | TAIJI BIOMEDICAL INC (US) | 2009-09-09 | — | — | EP | disclosed |
| EP-2082740-A2 | Use of imidazole derivatives as MDR modulators | Taiji Biomedical, Inc. (US) | 2009-07-29 | — | — | EP | disclosed |