Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 3/20 | 0.38 |
| ▸ | MAOA | P21397 | 4/20 | 0.38 |
| ▸ | MAOB | P27338 | 4/20 | 0.38 |
| ▸ | KDM1A | O60341 | 3/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15805105 | 1.00 | LTA4H (0.41) | LTA4HCYP2C19CYP1A2CYP2C9HTR2C | |
| SCHEMBL15805114 | 1.00 | LTA4H (0.41) | LTA4HCYP2C19CYP1A2CYP2C9HTR2C | |
| SCHEMBL15805129 | 1.00 | LTA4H (0.41) | LTA4HCYP2C19CYP1A2CYP2C9HTR2C | |
| SCHEMBL11017750 | 0.73 | MAPT (0.47) | PPARGMAOAMAOBKDM1A | |
| SCHEMBL17269305 | 0.73 | HTR2C (0.46) | CYP2C19CYP1A2CYP2C9HTR2CTSHR | |
| SCHEMBL17259092 | 0.73 | HTR2C (0.46) | CYP2C19CYP1A2CYP2C9HTR2CTSHR | |
| SCHEMBL17259094 | 0.73 | HTR2C (0.46) | CYP2C19CYP1A2CYP2C9HTR2CTSHR | |
| SCHEMBL16838804 | 0.71 | MAOB (0.48) | CYP2C19CYP1A2CYP2C9HTR2CMAOA | |
| SCHEMBL16838800 | 0.71 | MAOB (0.48) | CYP2C19CYP1A2CYP2C9HTR2CMAOA | |
| SCHEMBL27783887 | 0.71 | MAOB (0.48) | CYP2C19CYP1A2CYP2C9HTR2CMAOA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2931708-B1 | CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF | DIVERCHIM (FR) | 2017-05-10 | — | — | EP | disclosed |