Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.45 |
| ▸ | CES2 | O00748 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4552805 | 0.94 | CES2 (0.46) | CES1CES2ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL28975586 | 0.94 | CES1 (0.41) | CES1CES2ALDH1A1SMN1; SMN2TP53 | |
| SCHEMBL3798645 | 0.93 | — | — | |
| SCHEMBL11516414 | 0.91 | ALDH1A1 (0.45) | CES1CES2ALDH1A1SMN1; SMN2TP53 | |
| SCHEMBL11515340 | 0.91 | ALDH1A1 (0.53) | CES1CES2ALDH1A1SMN1; SMN2TP53 | |
| SCHEMBL7129094 | 0.88 | TSHR (0.50) | CES1CES2ALDH1A1LMNATSHR | |
| SCHEMBL28975572 | 0.88 | — | — | |
| SCHEMBL2707313 | 0.88 | TSHR (0.50) | CES1CES2ALDH1A1LMNATSHR | |
| SCHEMBL506061 | 0.82 | CES1 (0.53) | CES1CES2ALDH1A1SMN1; SMN2TP53 | |
| SCHEMBL27706407 | 0.79 | CES2 (0.43) | CES1CES2ALDH1A1SMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-6102986-A | AQUEOUS MIXTURE CONTAINING AMINE SALT | CLARIANT GMBH (DE) | 2000-08-15 | — | — | US | disclosed |