Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.32 |
| ▸ | NQO2 | P16083 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA7 | P43166 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | TUBB4A | P04350 | 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 | |
|---|---|---|---|---|
| SCHEMBL7308855 | 0.78 | ACHE (0.37) | ACHECA9CYP3A4MAPTCA12 | |
| SCHEMBL745028 | 0.76 | ACHE (0.36) | ACHECA9CYP3A4MAPTPTGS2 | |
| SCHEMBL313310 | 0.74 | ACHE (0.34) | ACHECA9CYP3A4MAPTPTGS2 | |
| SCHEMBL312248 | 0.74 | ACHE (0.34) | ACHECA9CYP3A4MAPTPTGS2 | |
| SCHEMBL311915 | 0.74 | ACHE (0.34) | ACHECA9CYP3A4MAPTPTGS2 | |
| SCHEMBL312860 | 0.74 | ACHE (0.34) | ACHECA9CYP3A4MAPTPTGS2 | |
| SCHEMBL1466344 | 0.74 | MAPT (0.43) | ACHECA9CYP3A4MAPTPTGS2 | |
| SCHEMBL28785554 | 0.73 | PDE4B (0.44) | CA9CYP3A4ALDH1A1CA12CA1 | |
| SCHEMBL3006439 | 0.71 | ACHE (0.31) | ACHE | |
| SCHEMBL7743958 | 0.71 | PTGS2 (0.42) | ACHECA9CYP3A4MAPTPTGS2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2513064-A2 | COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING BIOFILMS | Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) | 2012-10-24 | — | — | EP | claimed |
| WO-2011080132-A2 | COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING BIOFILMS | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) | 2011-07-07 | — | — | WO | claimed |
| EP-3201206-B1 | BORONIC ACID DERIVATIVES | MERCK PATENT GMBH (DE) | 2019-09-18 | — | — | EP | disclosed |
| EP-3201206-A1 | BORONIC ACID DERIVATIVES | Merck Patent GmbH (DE) | 2017-08-09 | — | — | EP | disclosed |
| WO-2016050358-A1 | BORONIC ACID DERIVATIVES | MERCK PATENT GMBH (DE) | 2016-04-07 | — | — | WO | disclosed |