Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.43 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 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 | |
|---|---|---|---|---|
| SCHEMBL3974955 | 0.87 | BCAT2 (0.43) | BCAT2PSMD14MMP2BLMIKBKB | |
| SCHEMBL3981622 | 0.85 | BCAT2 (0.44) | BCAT2IKBKBKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL3973836 | 0.82 | BCAT2 (0.54) | BCAT2IKBKBKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL18641956 | 0.80 | IKBKB (0.52) | BCAT2IKBKBKDM4EBRD4HTT | |
| SCHEMBL18816707 | 0.76 | BCAT2 (0.45) | BCAT2IKBKBKDM4EBRD4MEN1 | |
| SCHEMBL3898825 | 0.75 | BCAT2 (0.58) | BCAT2IKBKBKDM4EBRD4ALDH1A1 | |
| SCHEMBL17829925 | 0.74 | BCAT2 (0.56) | BCAT2IKBKBKDM4EBRD4ALDH1A1 | |
| SCHEMBL3975447 | 0.72 | BCAT2 (0.44) | BCAT2IKBKBKDM4EBRD4SMN1; SMN2 | |
| SCHEMBL3973587 | 0.71 | MKNK1 (0.48) | KDM4EALDH1A1SMN1; SMN2LMNAMAPK1 | |
| SCHEMBL18816701 | 0.71 | BCAT2 (0.53) | BCAT2IKBKBKDM4EBRD4LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2054383-A2 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS | SmithKline Beecham Corporation (US) | 2009-05-06 | — | — | EP | disclosed |
| WO-2008021849-A2 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-02-21 | — | — | WO | disclosed |