Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 5/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.39 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12475278 | 0.86 | KIF11 (0.47) | CYP2D6KCNH2LMNACHRM2CHRM1 | |
| SCHEMBL4558956 | 0.83 | KIF11 (0.46) | CYP2D6KCNH2LMNACHRM2CHRM1 | |
| SCHEMBL4055704 | 0.81 | CYP2D6 (0.49) | CYP2D6KCNH2LMNACHRM2CHRM1 | |
| SCHEMBL27392933 | 0.81 | KCNH2 (0.43) | CYP2D6KCNH2LMNACHRM2CHRM1 | |
| SCHEMBL4153935 | 0.74 | CHRM3 (0.55) | CYP2D6KCNH2LMNACHRM2CHRM1 | |
| SCHEMBL7102456 | 0.74 | MAPT (0.47) | CYP2D6KCNH2LMNACHRM2CHRM1 | |
| SCHEMBL2095353 | 0.74 | CYP3A4 (0.53) | CYP2D6KCNH2LMNACHRM2CHRM1 | |
| SCHEMBL4055699 | 0.73 | CYP2C19 (0.50) | CYP2D6KCNH2LMNACHRM2CHRM1 | |
| SCHEMBL13865463 | 0.73 | KIF11 (0.55) | MAPTKMT2AKIF11HTT | |
| SCHEMBL4558966 | 0.73 | CYP2D6 (0.44) | CYP2D6KCNH2LMNACHRM2CHRM1 |
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 |