Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 10/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 10/20 | 0.45 |
| ▸ | USP2 | O75604 | 9/20 | 0.45 |
| ▸ | TSHR | P16473 | 9/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | MEN1 | O00255 | 7/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 6/20 | 0.45 |
| ▸ | LMNA | P02545 | 6/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | GLA | P06280 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9980382 | 0.91 | USP2 (0.36) | CYP1A2CYP3A4CYP2D6CYP2C19USP2 | |
| SCHEMBL9980383 | 0.84 | LMNA (0.41) | LMNAMAPK1MAPTTTKMAPK8 | |
| SCHEMBL9980486 | 0.81 | FFAR2 (0.33) | CYP1A2CYP3A4CYP2D6CYP2C19USP2 | |
| SCHEMBL12067895 | 0.79 | TNNI3K (0.55) | — | |
| SCHEMBL9980405 | 0.76 | CCNB2 (0.34) | CLK4LMNAMAPTMAPK8CA1 | |
| SCHEMBL1809500 | 0.73 | BRAF (0.53) | CYP1A2CYP3A4CYP2D6CYP2C19USP2 | |
| SCHEMBL12065551 | 0.72 | TNNI3K (0.44) | — | |
| SCHEMBL19507742 | 0.71 | TTK (0.43) | CYP1A2CYP3A4CYP2D6CYP2C19USP2 | |
| SCHEMBL9980375 | 0.70 | TNNI3K (0.40) | ALDH1A1LMNAMAPTSMN1; SMN2CA1 | |
| SCHEMBL19507719 | 0.69 | ALDH1A1 (0.44) | CYP1A2CYP3A4CYP2D6CYP2C19USP2 |
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-2011149827-A1 | COMPOUNDS AND METHODS | GLAXOSMITHKLINE LLC (US) | 2011-12-01 | — | — | WO | claimed |
| WO-2011149827-A1 | COMPOUNDS AND METHODS | GLAXOSMITHKLINE LLC (US) | 2011-12-01 | — | — | WO | disclosed |