Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.46 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.46 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14198386 | 0.89 | BACE1 (0.50) | BACE1CYP3A4CYP1A2CYP2D6CARM1 | |
| SCHEMBL11729842 | 0.87 | SIGMAR1 (0.48) | BACE1CYP2D6SIGMAR1CARM1PRMT6 | |
| SCHEMBL3664387 | 0.81 | BACE1 (0.53) | BACE1CYP3A4CYP1A2CYP2D6KCNA3 | |
| SCHEMBL14198387 | 0.79 | DRD2 (0.60) | BACE1CYP3A4CYP1A2CYP2D6SIGMAR1 | |
| Fumaric Acid SCHEMBL11732249 | 0.77 | CHRM2 (0.48) | BACE1 | |
| SCHEMBL13885901 | 0.77 | CARM1 (0.54) | BACE1SIGMAR1CARM1PRMT6HTR2A | |
| Maleic Acid SCHEMBL11732238 | 0.77 | CHRM2 (0.48) | BACE1 | |
| SCHEMBL1727229 | 0.76 | BACE1 (0.65) | BACE1SIGMAR1KDM4E | |
| SCHEMBL31207846 | 0.76 | CARM1 (0.68) | CYP3A4CYP1A2CYP2D6CARM1PRMT6 | |
| SCHEMBL7754129 | 0.75 | CARM1 (0.55) | BACE1CYP3A4CYP1A2CYP2D6SIGMAR1 |
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-2012166909-A1 | COMPOSITIONS AND METHODS FOR TREATING BREATHING CONTROL DISORDERS OR DISEASES | GALLEON PHARMACEUTICALS, INC. (US) | 2012-12-06 | — | — | WO | disclosed |