Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 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 | |
|---|---|---|---|---|
| SCHEMBL14269175 | 0.91 | ATM (0.34) | — | |
| SCHEMBL13799586 | 0.78 | L3MBTL1 (0.31) | MEN1KMT2A | |
| SCHEMBL10309813 | 0.78 | TDP1 (0.33) | — | |
| SCHEMBL3418221 | 0.75 | CYP1A2 (0.38) | MEN1KMT2A | |
| SCHEMBL2603380 | 0.73 | LMNA (0.39) | MEN1KMT2A | |
| SCHEMBL13385705 | 0.73 | HSD11B1 (0.30) | — | |
| SCHEMBL13199356 | 0.73 | NPSR1 (0.35) | MEN1KMT2A | |
| SCHEMBL12809508 | 0.72 | IDO1 (0.32) | — | |
| SCHEMBL13199358 | 0.72 | APEX1 (0.32) | — | |
| SCHEMBL13199354 | 0.70 | ALDH1A1 (0.35) | — |
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-7671229-B2 | Obtained from liquefied petroleum gas; nonoxidative catalytic dehydrogenation of n-butane to give 1-butene, 2-butene, and 1,3-butadiene; oxidative dehydrogenation of 1-butene and 2-butene to unstabilized 1,3-butadiene; distilling; hydrocyanation preferably over a nickel (0) tris(phosphite) complex | BASF SE (DE) | 2010-03-02 | — | — | US | disclosed |