Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 6/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | TYMS | P04818 | 6/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14141414 | 0.83 | TYMS (0.35) | BACE1XDHCYP3A4BLMTYMS | |
| SCHEMBL3723702 | 0.82 | BACE1 (0.44) | BACE1XDHCYP3A4BLMTYMS | |
| SCHEMBL9879243 | 0.79 | BACE1 (0.54) | BACE1XDHCYP3A4BLMKDM4E | |
| SCHEMBL10617517 | 0.74 | CYP3A4 (0.41) | BACE1XDHCYP3A4BLMTYMS | |
| SCHEMBL1123403 | 0.73 | GPR84 (0.58) | — | |
| SCHEMBL1123602 | 0.73 | GPR84 (0.58) | — | |
| SCHEMBL28435044 | 0.70 | BACE1 (0.39) | BACE1XDHCYP3A4BLMKDM4E | |
| SCHEMBL12342674 | 0.70 | BACE1 (0.38) | BACE1XDHCYP3A4BLMKDM4E | |
| SCHEMBL5907151 | 0.68 | AOC3 (0.56) | BACE1XDHDHFR | |
| SCHEMBL12936008 | 0.68 | NPSR1 (0.37) | BACE1CYP3A4BLMTYMSKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010120854-A1 | CHEMICAL COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2010-10-21 | — | — | WO | disclosed |