Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.62 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | TP53 | P04637 | 1/20 | 0.62 |
| ▸ | SLC6A4 | P31645 | 16/20 | 0.62 |
| ▸ | SLC6A2 | P23975 | 11/20 | 0.62 |
| ▸ | SLC6A3 | Q01959 | 16/20 | 0.58 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12235320 | 0.83 | CYP3A4 (0.72) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| SCHEMBL8282927 | 0.81 | CYP3A4 (0.70) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| SCHEMBL13515587 | 0.81 | CYP3A4 (0.70) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| SCHEMBL872306 | 0.81 | SLC6A4 (0.92) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| SCHEMBL10008912 | 0.81 | SLC6A4 (0.92) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| SCHEMBL15065353 | 0.80 | SLC6A4 (0.72) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| Hydrochloric Acid SCHEMBL2541 | 0.78 | SLC6A4 (0.62) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| SCHEMBL15065637 | 0.78 | TSHR (0.58) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| SCHEMBL871577 | 0.78 | CYP3A4 (0.70) | CYP3A4ALOX15TSHRTP53SLC6A4 | |
| SCHEMBL15065678 | 0.78 | SLC6A4 (0.75) | CYP3A4ALOX15TSHRTP53SLC6A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4814352-A | ANTIDEPRESSANT CYCLOBUTYL BENZYLAMINE | THE BOOTS COMPANY PLC (GB) | 1989-03-21 | — | — | US | disclosed |
| US-4806570-A | ANTIDEPRESSANTS | THE BOOTS COMPANY PLC (GB) | 1989-02-21 | — | — | US | disclosed |
| US-4767790-A | ANTIDEPRESSANTS | THE BOOTS COMPANY PLC (GB) | 1988-08-30 | — | — | US | disclosed |
| US-4746680-A | ANTIDEPRESSANTS | THE BOOTS COMPANY P.L.C. (GB) | 1988-05-24 | — | — | US | disclosed |
| US-4522828-A | CYCLOBUTYLALKYLAMINE COMPOUNDS, ANTIDEPRESSANTS | THE BOOTS COMPANY PLC (GB) | 1985-06-11 | — | — | US | disclosed |