Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.69 |
| ▸ | CES1 | P23141 | 2/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | F2 | P00734 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2500365 | 0.92 | CES2 (0.55) | CES2CES1TDP1KMT2ASLC6A2 | |
| SCHEMBL8717537 | 0.83 | LMNA (0.67) | CES2CES1TDP1KMT2ASLC6A2 | |
| SCHEMBL775751 | 0.82 | ALDH1A1 (0.61) | CES2CES1TDP1KMT2ASLC6A2 | |
| SCHEMBL1352549 | 0.82 | CES2 (1.00) | CES2CES1LMNATSHRALDH1A1 | |
| SCHEMBL118227 | 0.82 | CES2 (0.77) | CES2CES1TDP1KMT2ALMNA | |
| SCHEMBL4650584 | 0.81 | KMT2A (0.76) | CES2CES1TDP1KMT2ASLC6A2 | |
| SCHEMBL7616356 | 0.81 | CES2 (0.59) | CES2CES1TDP1KMT2AALDH1A1 | |
| SCHEMBL8983809 | 0.81 | CES2 (0.59) | CES2CES1TDP1KMT2ATSHR | |
| SCHEMBL6777691 | 0.81 | RAB9A (0.71) | CES2CES1KMT2ALMNAALDH1A1 | |
| SCHEMBL52413 | 0.81 | LMNA (0.70) | CES2CES1TDP1KMT2ASLC6A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8029979-B2 | Method for determining the substrate specificity of an enzyme | JPT PEPTIDE TECHNOLOGIES GMBH (DE) | 2011-10-04 | — | — | US | disclosed |
| US-20060234308-A1 | Method for determining the substrate specificity of an enzymatic activity and a device therefor | JERINI AG (DE) | 2006-10-19 | — | — | US | disclosed |
| US-20040171097-A1 | Method for determining the substrate specificity of an enzymatic activity and a device therefor | JERINI AG (DE) | 2004-09-02 | — | — | US | disclosed |