Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 7/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4163921 | 0.78 | KDM4C (0.37) | KDM4C | |
| SCHEMBL7948683 | 0.75 | EGFR (0.33) | EGFR | |
| SCHEMBL2141779 | 0.75 | EGFR (0.34) | EGFRALDH1A1CYP3A4HSD17B10CYP2C9 | |
| SCHEMBL13134202 | 0.74 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL4144528 | 0.74 | KDM4C (0.51) | KDM4C | |
| SCHEMBL11352702 | 0.73 | NPC1 (0.52) | EGFRALDH1A1HSD17B10TSHRSMN1; SMN2 | |
| SCHEMBL31339136 | 0.73 | CSNK2A1 (0.39) | ALDH1A1HSD17B10TSHRMAPK1 | |
| SCHEMBL312294 | 0.72 | EGFR (0.38) | EGFRALDH1A1CYP3A4HSD17B10SMN1; SMN2 | |
| SCHEMBL9654498 | 0.72 | EGFR (0.40) | EGFRCYP3A4KDM4CCYP1A2 | |
| SCHEMBL13134200 | 0.72 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6677316-B2 | TREATING ISCHEMIA, CARDIOVASCULAR DISORDERS, STROKE, PAIN, NERVOUS SYSTEM DISORDERS OR SLEEP APNEA; ADENOSINE A1 RECEPTOR AGONIST; 2-(3-(TERT-BUTYL)-1,2,4-OXADIAZOL-5-YL)-5-(6-(ISOBUTYLAMINO)-9H-PURIN-9-YL) TETRAHYDROFURAN-3,4-DIOL | SMITHKLINE BEECHAM CORPORATION | 2004-01-13 | — | — | US | disclosed |