Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 5/20 | 0.36 |
| ▸ | THRB | P10828 | 5/20 | 0.36 |
| ▸ | CAMK2A | Q9UQM7 | 3/20 | 0.34 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4754754 | 0.88 | CAMK2A (0.41) | THRATHRBCAMK2AGRIK1CYP3A4 | |
| SCHEMBL2342519 | 0.86 | CYP3A4 (0.34) | CYP3A4ALDH1A1MAPTLMNAPTGS2 | |
| SCHEMBL4752470 | 0.83 | CYP3A4 (0.49) | THRATHRBCAMK2ACYP3A4 | |
| SCHEMBL4752770 | 0.82 | CYP1A2 (0.41) | THRATHRBCAMK2AGRIK1ALDH1A1 | |
| SCHEMBL3038920 | 0.82 | CYP1A2 (0.41) | THRATHRBCAMK2AGRIK1ALDH1A1 | |
| SCHEMBL4752685 | 0.77 | MEP1B (0.38) | CYP3A4ALDH1A1MAPTLMNA | |
| SCHEMBL3035378 | 0.76 | CYP3A4 (0.34) | CYP3A4 | |
| SCHEMBL2340437 | 0.74 | CYP3A4 (0.37) | THRBCYP3A4ALDH1A1MAPT | |
| SCHEMBL13236624 | 0.74 | THRB (0.36) | THRATHRBCAMK2ACHRM1PPARG | |
| SCHEMBL1344803 | 0.74 | CYP3A4 (0.47) | THRATHRBCAMK2ACYP3A4 |
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-2008157273-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-12-24 | — | — | WO | disclosed |
| WO-2008157330-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-12-24 | — | — | WO | disclosed |