Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 14/20 | 0.73 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.56 |
| ▸ | MEN1 | O00255 | 5/20 | 0.56 |
| ▸ | LMNA | P02545 | 5/20 | 0.56 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.56 |
| ▸ | HTR2C | P28335 | 4/20 | 0.56 |
| ▸ | TSHR | P16473 | 4/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.56 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.56 |
| ▸ | HTR2A | P28223 | 3/20 | 0.56 |
| ▸ | HRH1 | P35367 | 3/20 | 0.56 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.56 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.56 |
| ▸ | HTR2B | P41595 | 3/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.56 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL2525 | 0.94 | SLC6A4 (0.64) | SLC6A4KMT2ACYP2D6SLC6A2CYP3A4 | |
| SCHEMBL8197696 | 0.85 | SLC6A4 (1.00) | SLC6A4KMT2ACYP2D6SLC6A2CYP3A4 | |
| SCHEMBL5011928 | 0.85 | SLC6A4 (1.00) | SLC6A4KMT2ACYP2D6SLC6A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL4941345 | 0.84 | SLC6A4 (0.97) | SLC6A4KMT2ACYP2D6SLC6A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL7771743 | 0.79 | SLC6A4 (0.73) | SLC6A4SLC6A2 | |
| SCHEMBL14085620 | 0.78 | CACNA2D1 (0.69) | SLC6A4KMT2ACYP2D6SLC6A2CYP3A4 | |
| SCHEMBL14085600 | 0.78 | CACNA2D1 (0.69) | SLC6A4KMT2ACYP2D6SLC6A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL4846069 | 0.77 | CACNA2D1 (0.67) | SLC6A4KMT2ACYP2D6SLC6A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL5805810 | 0.77 | CACNA2D1 (0.67) | SLC6A4KMT2ACYP2D6SLC6A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL4854431 | 0.77 | CACNA2D1 (0.67) | SLC6A4KMT2ACYP2D6SLC6A2CYP3A4 |
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 |