Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | VCAM1 | P19320 | 3/20 | 0.37 |
| ▸ | MERTK | Q12866 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | EPAS1 | Q99814 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SNCA | P37840 | 1/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.33 |
| ▸ | VEGFA | P15692 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL3027860 | 1.00 | CYP3A4 (0.44) | CYP3A4CYP1A2VCAM1MERTKKCNH2 | |
| SCHEMBL3642514 | 0.89 | CYP1A2 (0.39) | CYP3A4CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL13661733 | 0.88 | CYP3A4 (0.45) | CYP3A4VCAM1MERTKKCNH2CYP2C9 | |
| SCHEMBL1344613 | 0.85 | CYP3A4 (0.55) | CYP3A4KCNH2CYP2C9CYP2C19EPAS1 | |
| SCHEMBL4752770 | 0.85 | CYP1A2 (0.41) | CYP1A2EPAS1MAPTVEGFANPC1 | |
| SCHEMBL3038920 | 0.85 | CYP1A2 (0.41) | CYP1A2EPAS1MAPTVEGFANPC1 | |
| SCHEMBL3016476 | 0.84 | VCAM1 (0.44) | CYP3A4VCAM1MERTKKCNH2EPAS1 | |
| SCHEMBL1344803 | 0.83 | CYP3A4 (0.47) | CYP3A4KCNH2CYP2C9CYP2C19EPAS1 | |
| SCHEMBL4752470 | 0.83 | CYP3A4 (0.49) | CYP3A4KCNH2CYP2C9CYP2C19EPAS1 | |
| SCHEMBL16175755 | 0.83 | CYP3A4 (0.61) | CYP3A4KCNH2CYP2C9CYP2C19EPAS1 |
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-2008157330-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-12-24 | — | — | WO | disclosed |
| WO-2008157273-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-12-24 | — | — | WO | disclosed |