Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 5/20 | 0.36 |
| ▸ | CA2 | P00918 | 5/20 | 0.36 |
| ▸ | CA9 | Q16790 | 5/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | RAD52 | P43351 | 1/20 | 0.34 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14869526 | 0.86 | CYP1A2 (0.53) | CYP1A2CYP2C19KMT2ALMNAMEN1 | |
| SCHEMBL9102166 | 0.86 | CYP1A2 (0.53) | CYP1A2CYP2C19KMT2ALMNAMEN1 | |
| SCHEMBL14613152 | 0.80 | PDE4A (0.31) | CYP1A2CYP2C19PDE4A | |
| SCHEMBL14869378 | 0.79 | CYP1A2 (0.47) | CYP1A2CYP2C19KMT2ALMNAMEN1 | |
| SCHEMBL10543159 | 0.77 | CYP1A2 (0.61) | CYP1A2CYP2C19KMT2ALMNAMEN1 | |
| SCHEMBL14869414 | 0.77 | CYP1A2 (0.46) | CYP1A2CYP2C19KMT2ALMNAMEN1 | |
| SCHEMBL7102854 | 0.77 | KMT2A (0.66) | CYP1A2CYP2C19KMT2ALMNAMEN1 | |
| SCHEMBL18903179 | 0.76 | LMNA (0.54) | CYP1A2CYP2C19KMT2ALMNAMEN1 | |
| SCHEMBL24208968 | 0.76 | CYP1A2 (0.52) | CYP1A2CYP2C19KMT2ALMNAMEN1 | |
| SCHEMBL15720290 | 0.74 | KCNH3 (0.44) | CYP1A2CYP2C19KMT2ALMNAMEN1 |
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-2014078575-A2 | NOVEL ORALLY BIOAVAILABLE BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME | GALLEON PHARMACEUTICALS, INC. (US) | 2014-05-22 | — | — | WO | disclosed |