Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 9/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | HBB | P68871 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3168745 | 0.91 | ADORA2A (0.56) | ADORA2AADORA1CYP1A2CYP3A4CLK4 | |
| SCHEMBL3156074 | 0.87 | ADORA2A (0.54) | ADORA2AADORA1CYP1A2CYP3A4CLK4 | |
| SCHEMBL2905528 | 0.85 | ABCG2 (0.44) | ADORA2AADORA1ALDH1A1ADORA3BLM | |
| SCHEMBL6176567 | 0.85 | CYP1A2 (0.52) | ADORA2AADORA1CYP1A2CYP3A4CLK4 | |
| SCHEMBL3162625 | 0.85 | ADORA2A (0.51) | ADORA2AADORA1CYP1A2CYP3A4CLK4 | |
| SCHEMBL3155766 | 0.85 | ADORA2A (0.51) | ADORA2AADORA1CYP1A2CYP3A4CLK4 | |
| SCHEMBL3163394 | 0.85 | ADORA1 (0.51) | ADORA2AADORA1CYP1A2CYP3A4CLK4 | |
| SCHEMBL3165790 | 0.84 | ADORA1 (0.50) | ADORA2AADORA1CYP1A2CYP3A4CLK4 | |
| SCHEMBL3172454 | 0.84 | ADORA1 (0.54) | ADORA2AADORA1CYP1A2CYP3A4CLK4 | |
| SCHEMBL2905601 | 0.84 | ADORA1 (0.45) | ADORA2AADORA1ALDH1A1ADORA3BLM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101910184-A | Solubility thiazole and pyridine | SIRTRIS PHARMACEUTICALS INC | 2010-12-08 | — | — | CN | disclosed |
| EP-2217606-A1 | SOLUBILIZED THIAZOLOPYRIDINES | Sirtris Pharmaceuticals, Inc. (US) | 2010-08-18 | — | — | EP | disclosed |
| WO-2009061453-A1 | SOLUBILIZED THIAZOLOPYRIDINES | SIRTRIS PHARMACEUTICALS, INC. (US) | 2009-05-14 | — | — | WO | disclosed |