Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | BRD4 | O60885 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10989153 | 0.83 | CYP2D6 (0.76) | KMT2APOLBCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL23291483 | 0.81 | CASP1 (0.49) | KMT2APOLBCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11052192 | 0.80 | KMT2A (0.59) | KMT2APOLBCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL572327 | 0.77 | ALDH1A1 (0.62) | KMT2ACYP2D6CYP2C19SMN1; SMN2KDM4E | |
| SCHEMBL23607688 | 0.76 | KMT2A (0.51) | KMT2APOLBCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL23291573 | 0.75 | CASP1 (0.45) | KMT2APOLBCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1101970 | 0.74 | KMT2A (0.50) | KMT2APOLBCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL21955913 | 0.74 | KMT2A (0.54) | KMT2APOLBCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6283002 | 0.73 | CYP2D6 (0.65) | KMT2APOLBCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2560972 | 0.73 | HDAC3 (0.45) | KMT2APOLBCYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| JP-61227593-A | — | — | None | — | — | JP | disclosed |
| JP-S61227593-A | PREPARATION OF ALPHA-L-ASPARTYL-L-PHENYLALANINE METHYL ESTER OR ITS HYDROCHLORIDE | MITSUI TOATSU CHEM INC | 1986-10-09 | — | — | JP | disclosed |