Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | MDM2 | Q00987 | 11/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.33 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.32 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.32 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.32 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.32 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.32 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | PSMB11 | A5LHX3 | 1/20 | 0.31 |
| ▸ | PSMA7 | O14818 | 1/20 | 0.31 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.31 |
| ▸ | PSMA1 | P25786 | 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 | |
|---|---|---|---|---|
| SCHEMBL17102154 | 0.81 | CES2 (0.40) | CES2CES1MDM2RIPK1 | |
| SCHEMBL17865488 | 0.78 | MDM2 (0.40) | CES2CES1MDM2PSMB5 | |
| SCHEMBL17865486 | 0.71 | CES2 (0.44) | CES2CES1MDM2PSMB11PSMA7 | |
| SCHEMBL17102140 | 0.70 | CTSS (0.43) | CES2CES1HPGD | |
| SCHEMBL17121664 | 0.69 | CES2 (0.46) | CES2CES1MDM2PSMB11PSMA7 | |
| SCHEMBL1665547 | 0.69 | — | — | |
| SCHEMBL4149785 | 0.69 | GRIK1 (0.33) | — | |
| SCHEMBL1665550 | 0.69 | — | — | |
| SCHEMBL21838666 | 0.66 | — | — | |
| SCHEMBL15561658 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2997008-B1 | PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES OF OMARIGLIPTIN | ITALIANA SINT SPA (IT) | 2016-06-29 | — | — | EP | claimed |