Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 3/20 | 0.46 |
| ▸ | JAK3 | P52333 | 4/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 4/20 | 0.41 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.41 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.41 |
| ▸ | TNNI3K | Q59H18 | 3/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.40 |
| ▸ | CDK9 | P50750 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 2/20 | 0.40 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2224478 | 0.91 | NTRK1 (0.47) | NTRK1JAK3CA1ACHEEGFR | |
| SCHEMBL2226138 | 0.85 | TNNI3K (0.57) | NTRK1JAK3EGFRERBB3CDK1 | |
| SCHEMBL2225663 | 0.81 | EGFR (0.59) | JAK3EGFRERBB3CDK1CCNB1 | |
| SCHEMBL2224393 | 0.81 | NTRK1 (0.45) | NTRK1CA1PTK2CA12CA2 | |
| SCHEMBL2224438 | 0.81 | TNNI3K (0.57) | NTRK1JAK3EGFRERBB3TNNI3K | |
| SCHEMBL2225416 | 0.81 | NTRK1 (0.56) | NTRK1JAK3EGFRERBB3CDK2 | |
| SCHEMBL2228327 | 0.80 | CYP1A2 (0.52) | NTRK1JAK3EGFRERBB3TNNI3K | |
| SCHEMBL2224234 | 0.79 | TNNI3K (0.43) | CA1ACHEEGFRERBB3CDK1 | |
| SCHEMBL2226983 | 0.79 | CA1 (0.46) | NTRK1JAK3CA1EGFRERBB3 | |
| SCHEMBL2225667 | 0.78 | JAK1 (0.47) | JAK3EGFRERBB3CDK1CCNB1 |
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 4 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 | claimed |
| WO-2011088027-A1 | COMPOUNDS AND METHODS | GLAXOSMITHKLINE LLC (US) | 2011-07-21 | — | — | WO | claimed |
| 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 |