Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | MLYCD | O95822 | 10/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4516554 | 0.88 | CES2 (0.42) | CES1CES2LMNAHSP90AA1MAPT | |
| SCHEMBL17216 | 0.88 | CES1 (0.60) | CES1CES2MLYCDLMNAHSP90AA1 | |
| SCHEMBL29137293 | 0.76 | CES1 (0.54) | CES1CES2LMNAHSP90AA1MAPT | |
| SCHEMBL29035984 | 0.76 | CES1 (0.54) | CES1CES2LMNAHSP90AA1MAPT | |
| SCHEMBL20640032 | 0.74 | MLYCD (0.50) | CES1MLYCDLMNAHSP90AA1MAPT | |
| SCHEMBL1421656 | 0.73 | CES1 (0.70) | CES1MLYCDCA1CA2HDAC1 | |
| SCHEMBL4490669 | 0.73 | CES1 (0.43) | CES1CES2MLYCDLMNAHSP90AA1 | |
| SCHEMBL4656447 | 0.73 | CES2 (0.62) | CES1CES2LMNAMAPTTDP1 | |
| SCHEMBL28906999 | 0.72 | CES1 (0.50) | CES1CES2LMNAHSP90AA1MAPT | |
| SCHEMBL7958861 | 0.72 | CES1 (0.50) | CES1CES2LMNAHSP90AA1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| 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 |