Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DEGS1 | O15121 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11279520 | 1.00 | DEGS1 (0.41) | DEGS1ALDH1A1TSHRMAPK1TDP1 | |
| SCHEMBL11274898 | 0.78 | ALDH1A1 (0.43) | ALDH1A1TSHRMAPK1TDP1CES1 | |
| SCHEMBL20037284 | 0.76 | KDM1A (0.42) | DEGS1ALDH1A1TSHRMAPK1TDP1 | |
| SCHEMBL23865472 | 0.75 | ERCC5 (0.43) | ALDH1A1TSHRPOLBSMN1; SMN2HPGD | |
| SCHEMBL13770099 | 0.74 | KDM1A (0.46) | DEGS1ALDH1A1TSHRTDP1CES1 | |
| SCHEMBL11211096 | 0.73 | RAB9A (0.39) | ALDH1A1TSHRMAPK1TDP1CES1 | |
| SCHEMBL21753845 | 0.73 | HDAC3 (0.34) | ALDH1A1TSHRMAPK1TDP1CES1 | |
| SCHEMBL22810989 | 0.72 | KDM1A (0.40) | DEGS1TSHRMAPK1TDP1CES1 | |
| SCHEMBL28832863 | 0.72 | KDM1A (0.40) | DEGS1TSHRMAPK1TDP1CES1 | |
| SCHEMBL148739 | 0.72 | ALDH1A1 (0.49) | DEGS1ALDH1A1TSHRMAPK1TDP1 |
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 |