Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 9/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.45 |
| ▸ | HTR2A | P28223 | 3/20 | 0.45 |
| ▸ | HTR2C | P28335 | 3/20 | 0.45 |
| ▸ | HRH1 | P35367 | 3/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.45 |
| ▸ | DRD3 | P35462 | 3/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.45 |
| ▸ | HTR2B | P41595 | 3/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | KLF10 | Q13118 | 2/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL3810 | 0.93 | SLC6A4 (0.42) | CACNA2D1SLC6A2SLC6A4SLC6A3CYP1A2 | |
| Acetic Acid SCHEMBL27691872 | 0.75 | SLC6A4 (0.60) | CACNA2D1SLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL3811 | 0.73 | ALOX5 (0.34) | — | |
| SCHEMBL5137188 | 0.71 | SLC6A4 (0.55) | CACNA2D1SLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL15061181 | 0.69 | ADRA1D (0.32) | SLC6A4CYP1A2CYP3A4CYP2D6HTR2A | |
| SCHEMBL14506463 | 0.64 | SLC6A4 (0.55) | CACNA2D1SLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL2487646 | 0.63 | SLC6A4 (0.64) | CACNA2D1SLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL15061262 | 0.63 | SCN4A (0.32) | SLC6A4CYP1A2CYP3A4CYP2D6HTR2A | |
| SCHEMBL11239466 | 0.63 | SLC6A4 (0.63) | SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL4018637 | 0.62 | SLC6A4 (0.62) | CACNA2D1SLC6A2SLC6A4SLC6A3CYP1A2 |
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 |