Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 16/20 | 0.92 |
| ▸ | SLC6A4 | P31645 | 16/20 | 0.72 |
| ▸ | SLC6A2 | P23975 | 15/20 | 0.72 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.72 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.72 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.72 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.72 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.72 |
| ▸ | HTR2A | P28223 | 1/20 | 0.72 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.72 |
| ▸ | HTR2B | P41595 | 1/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.71 |
| ▸ | LMNA | P02545 | 1/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.71 |
| ▸ | MAPT | P10636 | 1/20 | 0.71 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.71 |
| ▸ | TSHR | P16473 | 1/20 | 0.71 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1501 | 0.99 | SLC6A3 (0.90) | SLC6A3SLC6A4SLC6A2KCNH2CHRM2 | |
| SCHEMBL3517036 | 0.96 | SLC6A3 (1.00) | SLC6A3SLC6A4SLC6A2KCNH2CHRM2 | |
| SCHEMBL31107082 | 0.88 | SLC6A3 (0.72) | SLC6A3SLC6A4SLC6A2KCNH2CHRM2 | |
| SCHEMBL31107083 | 0.88 | SLC6A3 (0.72) | SLC6A3SLC6A4SLC6A2KCNH2CHRM2 | |
| Hydrochloric Acid SCHEMBL31107081 | 0.86 | SLC6A3 (0.70) | SLC6A3SLC6A4SLC6A2KCNH2CHRM2 | |
| SCHEMBL6391398 | 0.84 | SLC6A3 (0.71) | SLC6A3SLC6A4SLC6A2KCNH2CHRM2 | |
| Sibutramine SCHEMBL3707643 | 0.84 | SLC6A3 (1.00) | SLC6A3SLC6A4SLC6A2KCNH2CHRM2 | |
| Sibutramine SCHEMBL2955 | 0.84 | SLC6A3 (1.00) | SLC6A3SLC6A4SLC6A2KCNH2CHRM2 | |
| Sibutramine SCHEMBL2672138 | 0.84 | SLC6A3 (1.00) | SLC6A3SLC6A4SLC6A2KCNH2CHRM2 | |
| Sibutramine SCHEMBL16312 | 0.84 | SLC6A3 (1.00) | SLC6A3SLC6A4SLC6A2KCNH2CHRM2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4746680-A | ANTIDEPRESSANTS | THE BOOTS COMPANY P.L.C. (GB) | 1988-05-24 | — | — | US | claimed |
| US-4522828-A | CYCLOBUTYLALKYLAMINE COMPOUNDS, ANTIDEPRESSANTS | THE BOOTS COMPANY PLC (GB) | 1985-06-11 | — | — | US | claimed |