Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 14/20 | 0.42 |
| ▸ | CTSK | P43235 | 12/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 2/20 | 0.40 |
| ▸ | CTSB | P07858 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16384584 | 0.93 | TDP1 (0.43) | CTSSCTSKMEN1GAAKMT2A | |
| SCHEMBL12475244 | 0.82 | CYP2D6 (0.31) | — | |
| SCHEMBL15776420 | 0.79 | CTSS (0.50) | CTSSCTSKCTSLCTSB | |
| SCHEMBL6466473 | 0.77 | CTSS (0.52) | CTSSCTSKCTSLCTSB | |
| SCHEMBL12475445 | 0.75 | MEN1 (0.41) | CTSSCTSKMEN1GAAKMT2A | |
| SCHEMBL30706825 | 0.75 | TDP1 (0.42) | CTSSCTSKMEN1GAAKMT2A | |
| SCHEMBL842921 | 0.74 | TDP1 (0.52) | CTSSCTSKMEN1GAAKMT2A | |
| SCHEMBL16266905 | 0.73 | TDP1 (0.50) | CTSSCTSKMEN1GAAKMT2A | |
| SCHEMBL26862839 | 0.73 | TDP1 (0.50) | CTSSCTSKMEN1GAAKMT2A | |
| SCHEMBL22018721 | 0.72 | CTSS (0.40) | CTSSCTSKMEN1GAAKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2673281-A1 | BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTICS USES THEREOF | Rempex Pharmaceuticals, Inc. (US) | 2013-12-18 | — | — | EP | disclosed |
| WO-2012109164-A1 | BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTICS USES THEREOF | REMPEX PHARMACEUTICALS, INC. (US) | 2012-08-16 | — | — | WO | disclosed |