Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 5/20 | 0.48 |
| ▸ | BCHE | P06276 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CTSD | P07339 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | HTR5A | P47898 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL19523060 | 0.86 | BCHE (0.49) | BACE1BCHECYP1A2CYP2D6CYP2C19 | |
| SCHEMBL18542697 | 0.85 | MC4R (0.54) | BACE1BCHECYP1A2CYP2D6CYP2C19 | |
| SCHEMBL13999438 | 0.85 | BACE1 (0.50) | BACE1BCHECTSDL3MBTL1CHRM2 | |
| SCHEMBL12956598 | 0.82 | BCHE (0.56) | BACE1BCHECTSDMEN1KMT2A | |
| SCHEMBL19732441 | 0.82 | TERT (0.46) | BACE1BCHECTSDL3MBTL1CHRM2 | |
| SCHEMBL22882317 | 0.82 | MC4R (0.56) | BACE1BCHECYP1A2CYP2D6CYP2C19 | |
| SCHEMBL19121876 | 0.82 | BACE1 (0.48) | BACE1BCHECTSDL3MBTL1CHRM2 | |
| SCHEMBL10223330 | 0.82 | L3MBTL1 (0.65) | BACE1BCHECYP2D6CTSDL3MBTL1 | |
| SCHEMBL26027284 | 0.81 | BACE1 (0.47) | BACE1BCHECYP1A2CYP2D6CYP2C19 | |
| SCHEMBL18626557 | 0.81 | BCHE (0.54) | BACE1BCHECTSDMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-8106031-B2 | Hydrolytically-resistant boron-containing therapeutics and methods of use | ANACOR PHARMACEUTICALS, INC. (US) | 2012-01-31 | — | — | US | disclosed |