Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 13/20 | 0.52 |
| ▸ | CES1 | P23141 | 12/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | XBP1 | P17861 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL330589 | 0.82 | L3MBTL1 (0.48) | CES2CES1LMNAMAPTATM | |
| SCHEMBL330776 | 0.81 | TDP1 (0.56) | CES2CES1LMNASMN1; SMN2MAPT | |
| SCHEMBL6181797 | 0.77 | TDP1 (0.52) | CES2CES1LMNASMN1; SMN2MAPT | |
| SCHEMBL12228069 | 0.74 | TDP1 (0.50) | CES2CES1LMNAMAPTTDP1 | |
| SCHEMBL11689583 | 0.73 | PGR (0.49) | CES2CES1LMNASMN1; SMN2MAPT | |
| SCHEMBL15759488 | 0.73 | TDP1 (0.44) | CES2CES1LMNAMAPTATM | |
| SCHEMBL187606 | 0.73 | TDP1 (0.52) | CES2CES1LMNASMN1; SMN2NPSR1 | |
| SCHEMBL19695429 | 0.73 | TDP1 (0.52) | CES2CES1LMNASMN1; SMN2NPSR1 | |
| Benzil SCHEMBL28010897 | 0.72 | CES2 (0.58) | CES2CES1LMNASMN1; SMN2NPSR1 | |
| SCHEMBL9157738 | 0.72 | TDP1 (0.56) | CES2CES1LMNASMN1; SMN2MAPT |
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-2014065860-A1 | FUNCTIONALIZED 1,2,4,5-TETRAZINE COMPOUNDS FOR USE IN BIOORTHOGONAL COUPLING REACTIONS | THE GENERAL HOSPITAL CORPORATION (US) | 2014-05-01 | — | — | WO | disclosed |