Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLB1 | P16278 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | GBA1 | P04062 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL2297156 | 0.82 | CTSK (0.32) | — | |
| SCHEMBL2299229 | 0.77 | KDM4E (0.31) | — | |
| SCHEMBL2299013 | 0.76 | — | — | |
| SCHEMBL2300211 | 0.74 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL2295851 | 0.74 | CYP2C9 (0.38) | ALDH1A1CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL2297096 | 0.74 | ATM (0.37) | ALDH1A1GBA1 | |
| SCHEMBL2296528 | 0.74 | SIGMAR1 (0.33) | — | |
| SCHEMBL2300805 | 0.73 | KDM4E (0.34) | — | |
| SCHEMBL2298122 | 0.73 | — | — | |
| SCHEMBL2297989 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7999006-B2 | Anticancer agents; mitogen-activated protein kinases (MEK) | EXELIXIS, INC. (US) | 2011-08-16 | — | — | US | claimed |
| US-7803839-B2 | anticarcinogenic agent; 1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-carbonyl)azetidin-3-ol | EXELIXIS, INC. (US) | 2010-09-28 | — | — | US | claimed |