Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 4/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.53 |
| ▸ | HTR1A | P08908 | 1/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.53 |
| ▸ | DRD1 | P21728 | 1/20 | 0.53 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL5082818 | 0.88 | CHRNA7 (0.49) | — | |
| SCHEMBL11448671 | 0.74 | LTA4H (0.68) | LTA4H | |
| SCHEMBL5190981 | 0.74 | CYP3A4 (0.64) | SLC6A2SLC6A4SLC6A3CYP3A4CYP1A2 | |
| SCHEMBL4669314 | 0.74 | CYP3A4 (0.64) | SLC6A2SLC6A4SLC6A3CYP3A4CYP1A2 | |
| SCHEMBL2841877 | 0.74 | LTA4H (0.55) | LTA4H | |
| SCHEMBL2841875 | 0.74 | LTA4H (0.55) | LTA4H | |
| SCHEMBL11447773 | 0.72 | LTA4H (0.51) | SLC6A2SLC6A4SLC6A3LTA4H | |
| SCHEMBL11629768 | 0.72 | POLB (0.56) | CYP3A4CYP1A2CYP2D6CYP2C19HTR1A | |
| SCHEMBL7446075 | 0.71 | LTA4H (0.75) | LTA4H | |
| SCHEMBL4965391 | 0.71 | LTA4H (0.64) | SLC6A2SLC6A3LTA4H |
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-2008133884-A2 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS | COMBINATORX, INCORPORATED (US) | 2008-11-06 | — | — | WO | disclosed |