Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TBK1 | Q9UHD2 | 5/20 | 0.35 |
| ▸ | PHGDH | O43175 | 3/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.34 |
| ▸ | EPAS1 | Q99814 | 4/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3400565 | 0.88 | TBK1 (0.45) | TBK1 | |
| SCHEMBL3400566 | 0.88 | TBK1 (0.45) | TBK1 | |
| SCHEMBL5750050 | 0.79 | CCR1 (0.38) | GSK3BPOLBMDM2 | |
| SCHEMBL1467567 | 0.76 | TBK1 (0.47) | POLBTBK1 | |
| SCHEMBL1467568 | 0.76 | TBK1 (0.47) | POLBTBK1 | |
| SCHEMBL5749316 | 0.76 | CD274 (0.35) | GSK3BCHRM1 | |
| SCHEMBL21821164 | 0.72 | CYP11B1 (0.40) | GSK3BKDM4EPOLBPHGDHCHRM1 | |
| SCHEMBL20571101 | 0.72 | CYP11B1 (0.40) | GSK3BKDM4EPOLBPHGDHCHRM1 | |
| SCHEMBL18985504 | 0.72 | GABRP (0.45) | TBK1CHRM1 | |
| SCHEMBL3322121 | 0.72 | CHRM1 (0.55) | CHRM1 |
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-1701944-A2 | 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2006-09-20 | — | — | EP | disclosed |
| WO-2005066139-A2 | 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2005-07-21 | — | — | WO | disclosed |