Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 11/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 4/20 | 0.36 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1678780 | 0.83 | ERN1 (0.48) | ERN1CYP3A4MAPTARPADI4 | |
| SCHEMBL29957571 | 0.83 | ERN1 (0.48) | ERN1CYP3A4MAPTARPADI4 | |
| SCHEMBL29952205 | 0.82 | ERN1 (0.56) | ERN1CYP3A4PADI4CYP2C9CYP2C19 | |
| SCHEMBL29397237 | 0.82 | CYP3A4 (0.42) | ERN1CYP3A4MAPTARPADI4 | |
| SCHEMBL1804679 | 0.82 | ERN1 (0.56) | ERN1CYP3A4PADI4CYP2C9CYP2C19 | |
| SCHEMBL3966986 | 0.82 | CYP3A4 (0.42) | ERN1CYP3A4MAPTARPADI4 | |
| SCHEMBL455552 | 0.78 | ERN1 (0.47) | ERN1PADI4KDM4E | |
| SCHEMBL1197434 | 0.78 | CYP2C9 (0.45) | ERN1CYP3A4ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL841552 | 0.78 | CYP3A4 (0.48) | ERN1CYP3A4MAPTPADI4ALDH1A1 | |
| SCHEMBL14577383 | 0.78 | ERN1 (0.46) | ERN1CYP3A4MAPTPADI4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008121602-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-10-09 | — | — | WO | disclosed |
| WO-2008121602-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-10-09 | — | — | WO | disclosed |