Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ICMT | O60725 | 2/20 | 0.37 |
| ▸ | BACE1 | P56817 | 10/20 | 0.35 |
| ▸ | CTSD | P07339 | 10/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8281449 | 0.86 | BACE1 (0.42) | ICMTBACE1CTSDHDAC3HDAC1 | |
| SCHEMBL8283452 | 0.86 | HDAC3 (0.36) | HDAC3HDAC1HDAC2HDAC6SLC6A4 | |
| SCHEMBL18132922 | 0.86 | HDAC6 (0.47) | ICMTHDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL16677934 | 0.85 | OPRM1 (0.37) | ICMTHDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL2875000 | 0.74 | ICMT (0.37) | ICMTBACE1CTSDSLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL4257634 | 0.73 | ICMT (0.37) | ICMTBACE1CTSD | |
| SCHEMBL23648676 | 0.72 | LMNA (0.41) | HDAC3HDAC1HDAC2HDAC6SLC6A4 | |
| SCHEMBL16869995 | 0.70 | OPRM1 (0.45) | ICMTBACE1CTSDHDAC2KIF11 | |
| SCHEMBL8275534 | 0.70 | — | — | |
| SCHEMBL19300843 | 0.69 | BACE1 (0.41) | ICMTBACE1CTSDHDAC3HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017066742-A1 | BACE-2 INHIBITORY COMPOUNDS AND RELATED METHODS OF USE | JORTAN PHARMACEUTICALS INC. (US) | 2017-04-20 | — | — | WO | disclosed |
| WO-2005087215-A1 | SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS | ELAN PHARMACEUTICALS, INC. (US) | 2005-09-22 | — | — | WO | disclosed |
| WO-2005070407-A1 | METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS | ELAN PHARMACEUTICALS, INC. (US) | 2005-08-04 | — | — | WO | disclosed |