Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 14/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 14/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3444149 | 0.83 | CYP3A4 (0.49) | SLC6A4SLC6A3CYP3A4ALOX15TSHR | |
| SCHEMBL13107057 | 0.83 | CYP3A4 (0.49) | SLC6A4SLC6A3CYP3A4ALOX15TSHR | |
| SCHEMBL3444017 | 0.83 | CYP3A4 (0.49) | SLC6A4SLC6A3CYP3A4ALOX15TSHR | |
| SCHEMBL16507234 | 0.82 | SLC6A4 (0.55) | SLC6A4SLC6A3SLC6A2KCNH2CYP2D6 | |
| SCHEMBL25314436 | 0.81 | SLC6A4 (0.68) | SLC6A4SLC6A3CYP3A4ALOX15TSHR | |
| Hydrochloric Acid SCHEMBL11111073 | 0.78 | CYP3A4 (0.63) | SLC6A4SLC6A3CYP3A4ALOX15TSHR | |
| Hydrochloric Acid SCHEMBL5313752 | 0.78 | CYP3A4 (0.51) | SLC6A4SLC6A3CYP3A4ALOX15TSHR | |
| SCHEMBL16521004 | 0.78 | SLC6A3 (0.48) | SLC6A4SLC6A3CYP3A4ALOX15TSHR | |
| SCHEMBL16521006 | 0.76 | SLC6A4 (0.47) | SLC6A4SLC6A3CYP3A4ALOX15TSHR | |
| SCHEMBL622964 | 0.76 | CYP3A4 (0.43) | SLC6A4SLC6A3CYP3A4ALOX15TSHR |
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-2006091697-A1 | DOPAMINE TRANSPORTER INHIBITORS FOR USE IN TREATMENT OF MOVEMENT DISORDERS AND OTHER CNS INDICATIONS | PSYCHENOMICS, INC. (US) | 2006-08-31 | — | — | WO | disclosed |