Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ARG1 | P05089 | 2/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3718799 | 0.88 | ARG1 (0.43) | ARG1ALDH1A1GRIK1HDAC3HDAC4 | |
| SCHEMBL3719999 | 0.81 | ARG1 (0.43) | ARG1GRIK1HDAC3HDAC4HDAC1 | |
| SCHEMBL3719416 | 0.78 | ARG1 (0.39) | ARG1ALDH1A1GRIK1HDAC3HDAC4 | |
| SCHEMBL694969 | 0.77 | CTSS (0.43) | ALDH1A1CYP1A2CYP2D6ALOX15CYP2C19 | |
| SCHEMBL15327130 | 0.77 | CTSS (0.43) | ALDH1A1CYP1A2CYP2D6ALOX15CYP2C19 | |
| SCHEMBL15327131 | 0.77 | CTSS (0.43) | ALDH1A1CYP1A2CYP2D6ALOX15CYP2C19 | |
| SCHEMBL3721567 | 0.75 | CYP1A2 (0.39) | GRIK1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL3715962 | 0.74 | SLC1A3 (0.46) | ALDH1A1GRIK1CYP1A2CYP2D6ALOX15 | |
| SCHEMBL29350889 | 0.74 | GRIK1 (0.51) | ARG1KMT2AGRIK1CYP1A2CYP2D6 | |
| SCHEMBL11243299 | 0.72 | ARG1 (0.54) | ARG1GRIK1CYP1A2CYP2D6ALOX15 |
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-2010121918-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-28 | — | — | WO | disclosed |