Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.32 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.32 |
| ▸ | CHRNG | P07510 | 1/20 | 0.32 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | CHRND | Q07001 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | APP | P05067 | 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 | |
|---|---|---|---|---|
| SCHEMBL8282471 | 0.86 | ICMT (0.37) | HDAC3HDAC1HDAC2HDAC6SLC6A4 | |
| SCHEMBL18132922 | 0.86 | HDAC6 (0.47) | HDAC3HDAC1HDAC2HDAC6SLC6A4 | |
| SCHEMBL16677934 | 0.85 | OPRM1 (0.37) | HDAC3HDAC1HDAC2HDAC6SLC6A4 | |
| SCHEMBL30212887 | 0.81 | CHRNA1 (0.35) | SLC6A4SLC6A3CHRNA1CHRNGCHRNB1 | |
| SCHEMBL19280288 | 0.81 | CHRNA1 (0.35) | SLC6A4SLC6A3CHRNA1CHRNGCHRNB1 | |
| SCHEMBL20491321 | 0.78 | NPC1 (0.32) | HDAC3HDAC1HDAC2HDAC6SLC6A4 | |
| SCHEMBL8275534 | 0.77 | — | — | |
| SCHEMBL8281449 | 0.72 | BACE1 (0.42) | HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL19331253 | 0.70 | HDAC3 (0.36) | HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL5735959 | 0.69 | SMN1; SMN2 (0.37) | SLC6A4SLC6A3CHRNA1CHRNGCHRNB1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |