Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 4/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | PRNP | P04156 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL3268788 | 0.77 | PADI4 (0.42) | PADI4ERN1MAPTMEN1KMT2A | |
| SCHEMBL29588097 | 0.71 | PADI4 (0.64) | PADI4ERN1MAPTMEN1KMT2A | |
| SCHEMBL986883 | 0.71 | PADI4 (0.64) | PADI4ERN1MAPTMEN1KMT2A | |
| SCHEMBL9838932 | 0.71 | PADI4 (0.44) | PADI4ERN1GSK3BMAPTMEN1 | |
| SCHEMBL10488301 | 0.70 | PADI4 (0.52) | PADI4ERN1GSK3BMAPTMEN1 | |
| SCHEMBL31179408 | 0.69 | CTSB (0.42) | MAPTMEN1KMT2AALDH1A1HTT | |
| SCHEMBL19063389 | 0.69 | ALDH1A1 (0.35) | MAPTMEN1KMT2AALDH1A1HTT | |
| SCHEMBL3268207 | 0.69 | PADI4 (0.42) | PADI4ERN1GSK3BMAPTMEN1 | |
| SCHEMBL3371061 | 0.69 | PADI4 (0.52) | PADI4MCL1ERN1GSK3BMAPT | |
| SCHEMBL15104846 | 0.69 | ALDH1A1 (0.43) | PADI4ERN1GSK3BMAPTMEN1 |
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-2049481-A2 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS | SmithKline Beecham Corporation (US) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008021851-A2 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-02-21 | — | — | WO | disclosed |