Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL10622370 | 0.72 | CES2 (0.39) | CES2CES1HTTHDAC3HDAC6 | |
| SCHEMBL15218734 | 0.70 | HDAC6 (0.40) | CES2CES1HTTHDAC3HDAC6 | |
| SCHEMBL8470282 | 0.67 | CES2 (0.34) | CES2CES1HTTHDAC3HDAC6 | |
| SCHEMBL15221194 | 0.65 | RAB9A (0.42) | HTTHDAC3HDAC6LMNA | |
| SCHEMBL661258 | 0.64 | CES2 (0.46) | CES2CES1HTTHDAC3HDAC6 | |
| SCHEMBL8175703 | 0.64 | CES2 (0.68) | CES2CES1HTTHDAC3HDAC6 | |
| SCHEMBL9379039 | 0.64 | MEN1 (0.37) | CES2CES1HTTMAPK1GAA | |
| SCHEMBL9381231 | 0.62 | CES2 (0.40) | CES2CES1 | |
| SCHEMBL217793 | 0.61 | CES2 (0.43) | CES2CES1HTTHDAC3HDAC6 | |
| SCHEMBL336394 | 0.61 | CES2 (0.43) | CES2CES1HTTLMNATP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5360819-A | Nonradioactive labels which provide a ketone signal, vapor phase analysis | NORTHEASTERN UNIVERSITY (US) | 1994-11-01 | — | — | US | disclosed |
| US-4709016-A | Molecular analytical release tags and their use in chemical analysis | NORTHEASTERN UNIVERSITY (US) | 1987-11-24 | — | — | US | disclosed |
| US-4650750-A | Method of chemical analysis employing molecular release tag compounds | GIESE ROGER W (US) | 1987-03-17 | — | — | US | disclosed |