Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNNI3K | Q59H18 | 6/20 | 0.57 |
| ▸ | EGFR | P00533 | 8/20 | 0.48 |
| ▸ | ERBB3 | P21860 | 2/20 | 0.47 |
| ▸ | JAK3 | P52333 | 2/20 | 0.47 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.46 |
| ▸ | CDK9 | P50750 | 1/20 | 0.46 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.45 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.44 |
| ▸ | PDE5A | O76074 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2225416 | 0.87 | NTRK1 (0.56) | TNNI3KEGFRERBB3JAK3CCNT1 | |
| SCHEMBL2226138 | 0.87 | TNNI3K (0.57) | TNNI3KEGFRERBB3JAK3CCNT1 | |
| SCHEMBL2228327 | 0.86 | CYP1A2 (0.52) | TNNI3KEGFRERBB3JAK3CCNT1 | |
| SCHEMBL2224478 | 0.82 | NTRK1 (0.47) | TNNI3KEGFRERBB3JAK3CCNT1 | |
| SCHEMBL2225797 | 0.81 | EGFR (0.44) | TNNI3KEGFRERBB3JAK3CCNT1 | |
| SCHEMBL2225663 | 0.81 | EGFR (0.59) | TNNI3KEGFRERBB3JAK3CCNT1 | |
| SCHEMBL2225795 | 0.81 | NTRK1 (0.46) | TNNI3KEGFRERBB3JAK3CCNT1 | |
| SCHEMBL2225639 | 0.81 | EGFR (0.44) | TNNI3KEGFRERBB3JAK3CCNT1 | |
| SCHEMBL2225022 | 0.81 | KDR (0.46) | TNNI3KEGFRERBB3JAK3CCNT1 | |
| SCHEMBL2226929 | 0.81 | ALDH1A1 (0.48) | EGFRERBB3JAK3PDE5A |
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 |