Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.50 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.44 |
| ▸ | TOP1 | P11387 | 2/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.38 |
| ▸ | PDGFRA | P16234 | 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 | |
|---|---|---|---|---|
| SCHEMBL7121974 | 0.80 | ENPP1 (0.44) | CYP2A6CYP2B6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28222564 | 0.79 | CYP2A6 (0.52) | CYP2A6CYP2B6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL15730156 | 0.78 | CYP2A6 (0.50) | CYP2A6CYP2B6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2459179 | 0.76 | DHODH (0.43) | CYP3A4CYP2C19NPC1MAPTPKM | |
| SCHEMBL14555450 | 0.75 | CYP2A6 (0.47) | CYP2A6CYP2B6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3327536 | 0.74 | DHODH (0.50) | CYP2A6CYP2C9CYP2C19NPC1TOP1 | |
| SCHEMBL20111195 | 0.74 | CYP2A6 (0.46) | CYP2A6CYP2B6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7282635 | 0.73 | CYP2A6 (0.55) | CYP2A6CYP2B6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6288530 | 0.73 | KDM4E (0.47) | CYP2A6CYP2B6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4946960 | 0.73 | CYP2A6 (0.64) | CYP2A6CYP2B6CYP3A4CYP2C9CYP2C19 |
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-2012085170-A2 | PROCESS FOR MAKING ORGANOBORON COMPOUNDS, PRODUCTS OBTAINABLE THEREBY, AND THEIR USE | HAAG BENJAMIN (DE) | 2012-06-28 | — | — | WO | disclosed |