Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNNI3K | Q59H18 | 8/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | BRAF | P15056 | 6/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA7 | P43166 | 2/20 | 0.34 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | STAT3 | P40763 | 1/20 | 0.34 |
| ▸ | PTK2 | Q05397 | 3/20 | 0.33 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL1808559 | 0.78 | TNNI3K (0.62) | TNNI3KLMNABRAFALDH1A1CA2 | |
| Hydrochloric Acid SCHEMBL1804254 | 0.77 | TNNI3K (0.61) | TNNI3KLMNABRAFALDH1A1CA2 | |
| SCHEMBL1806158 | 0.76 | BRAF (0.61) | TNNI3KLMNABRAFALDH1A1CA2 | |
| SCHEMBL1803061 | 0.76 | SMN1; SMN2 (0.46) | TNNI3KLMNABRAFSMN1; SMN2ALDH1A1 | |
| SCHEMBL12067069 | 0.76 | TNNI3K (0.67) | TNNI3KBRAF | |
| SCHEMBL1807400 | 0.76 | TNNI3K (0.55) | TNNI3KLMNABRAFALDH1A1CA2 | |
| SCHEMBL1806484 | 0.75 | TNNI3K (0.58) | TNNI3KBRAFALDH1A1CA2 | |
| Hydrochloric Acid SCHEMBL1804510 | 0.75 | BRAF (0.60) | TNNI3KLMNABRAFALDH1A1CA2 | |
| SCHEMBL9980436 | 0.75 | TNNI3K (0.37) | TNNI3KBRAFCA2CA1CA7 | |
| SCHEMBL1805541 | 0.74 | BRAF (0.54) | TNNI3KLMNABRAFALDH1A1CA2 |
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 |