Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL11276229 | 1.00 | CES1 (0.34) | CES1CES2TSHRALDH1A1TP53 | |
| SCHEMBL8368484 | 0.91 | CES2 (0.38) | CES1CES2TSHRALDH1A1 | |
| SCHEMBL30595741 | 0.91 | CES1 (0.37) | CES1CES2TSHRALDH1A1TP53 | |
| SCHEMBL9071090 | 0.84 | CES2 (0.39) | CES1CES2TSHRALDH1A1 | |
| SCHEMBL11717387 | 0.82 | CES2 (0.41) | CES1CES2TSHRALDH1A1 | |
| SCHEMBL11717383 | 0.82 | CES2 (0.41) | CES1CES2TSHRALDH1A1 | |
| SCHEMBL7596544 | 0.80 | — | — | |
| SCHEMBL4136043 | 0.77 | CES1 (0.39) | CES1CES2TSHRALDH1A1TP53 | |
| SCHEMBL4136046 | 0.77 | CES1 (0.39) | CES1CES2TSHRALDH1A1TP53 | |
| SCHEMBL7597106 | 0.75 | CES2 (0.30) | CES1CES2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0020950-B1 | PROCESS FOR THE PREPARATION OF ALPHA, BETA-UNSATURATED NITRILES FROM ALDEHYDES AND FORMAMIDE | BASF Aktiengesellschaft (DE) | 1982-05-12 | — | — | EP | disclosed |
| US-4315869-A | Preparation of α,β-unsaturated nitriles | BASF AKTIENGESELLSCHAFT (DE) | 1982-02-16 | — | — | US | disclosed |
| EP-0020950-A1 | Process for the preparation of alpha, beta-unsaturated nitriles from aldehydes and formamide | BASF Aktiengesellschaft (DE) | 1981-01-07 | — | — | EP | disclosed |