Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.35 |
| ▸ | KIF11 | P52732 | 2/20 | 0.33 |
| ▸ | RXRA | P19793 | 4/20 | 0.33 |
| ▸ | RXRB | P28702 | 4/20 | 0.33 |
| ▸ | RXRG | P48443 | 4/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | BRS3 | P32247 | 1/20 | 0.31 |
| ▸ | RORC | P51449 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18428498 | 0.89 | ESR1 (0.46) | ESR1ESR2RXRARXRBRXRG | |
| SCHEMBL25343430 | 0.80 | ESR1 (0.43) | ESR1ESR2SLC6A4SLC6A2HTR2A | |
| SCHEMBL9274712 | 0.77 | TAAR1 (0.47) | ESR1ESR2KIF11MAOBALDH1A1 | |
| SCHEMBL4930066 | 0.76 | ESR1 (0.43) | ESR1ESR2LMNA | |
| SCHEMBL30788376 | 0.75 | ESR1 (0.46) | ESR1ESR2SLC6A4SLC6A2HTR2A | |
| SCHEMBL4514055 | 0.74 | CTSL (0.36) | ESR1SLC6A4SLC6A2SLC6A3ALDH1A1 | |
| SCHEMBL18428491 | 0.73 | THRA (0.41) | ESR1RXRARXRBRXRGBLM | |
| SCHEMBL5013584 | 0.73 | ESR1 (0.36) | ESR1ESR2KIF11RORC | |
| SCHEMBL1068241 | 0.73 | ESR1 (0.70) | ESR1ESR2SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL1625604 | 0.73 | FDPS (0.52) | ESR1ESR2SLC6A4MAOBSLC6A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1893562-A1 | REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B | Merck Frosst Canada Ltd. (CA) | 2008-03-05 | — | — | EP | claimed |
| WO-2006133559-A1 | REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B | MERCK FROSST CANADA LTD. (CA) | 2006-12-21 | — | — | WO | claimed |
| EP-1893562-A1 | REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B | Merck Frosst Canada Ltd. (CA) | 2008-03-05 | — | — | EP | disclosed |
| WO-2006133559-A1 | REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B | MERCK FROSST CANADA LTD. (CA) | 2006-12-21 | — | — | WO | disclosed |