Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.52 |
| ▸ | JAK3 | P52333 | 2/20 | 0.51 |
| ▸ | TNNI3K | Q59H18 | 4/20 | 0.48 |
| ▸ | PDE5A | O76074 | 2/20 | 0.48 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.48 |
| ▸ | CDK9 | P50750 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 2/20 | 0.47 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.47 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2226138 | 0.86 | TNNI3K (0.57) | JAK3TNNI3KCCNT1CDK9EGFR | |
| SCHEMBL2224438 | 0.86 | TNNI3K (0.57) | JAK3TNNI3KPDE5ACCNT1CDK9 | |
| SCHEMBL2225416 | 0.86 | NTRK1 (0.56) | JAK3TNNI3KPDE5ACCNT1CDK9 | |
| SCHEMBL2226716 | 0.85 | PTGES2 (0.47) | CYP1A2CYP3A4CYP2C19ALDH1A1HSD17B10 | |
| SCHEMBL2224478 | 0.81 | NTRK1 (0.47) | JAK3TNNI3KPDE5ACCNT1CDK9 | |
| SCHEMBL2225797 | 0.81 | EGFR (0.44) | ALDH1A1JAK3TNNI3KCCNT1CDK9 | |
| SCHEMBL2225663 | 0.80 | EGFR (0.59) | CYP1A2CYP3A4CYP2C19HSD17B10CYP2D6 | |
| SCHEMBL2225795 | 0.80 | NTRK1 (0.46) | CYP1A2CYP3A4CYP2C19CYP2D6CLK4 | |
| SCHEMBL2225639 | 0.80 | EGFR (0.44) | ALDH1A1JAK3TNNI3KCCNT1CDK9 | |
| SCHEMBL2225022 | 0.80 | KDR (0.46) | CYP3A4JAK3TNNI3KPDE5ACCNT1 |
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-2523559-A1 | COMPOUNDS AND METHODS | GlaxoSmithKline LLC (US) | 2012-11-21 | — | — | EP | disclosed |
| WO-2011088027-A1 | COMPOUNDS AND METHODS | GLAXOSMITHKLINE LLC (US) | 2011-07-21 | — | — | WO | disclosed |