Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 9/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL8293216 | 0.94 | HDAC3 (0.48) | HDAC3HDAC1NPC1RAB9AHTR1A | |
| Hydrochloric Acid SCHEMBL6809246 | 0.92 | HDAC3 (0.47) | HDAC3HDAC1NPC1RAB9AHTR1A | |
| SCHEMBL8293671 | 0.88 | HDAC3 (0.39) | HDAC3HDAC1NPC1RAB9AHTR1A | |
| SCHEMBL8293650 | 0.87 | HDAC3 (0.48) | HDAC3HDAC1NPC1RAB9AHTR1A | |
| SCHEMBL8294907 | 0.87 | HDAC3 (0.36) | HDAC3HDAC1NPC1RAB9AHTR1A | |
| SCHEMBL8294918 | 0.87 | DRD2 (0.39) | HDAC3HDAC1NPC1RAB9AHTR1A | |
| Hydrochloric Acid SCHEMBL6805082 | 0.84 | HDAC3 (0.46) | HDAC3HDAC1NPC1RAB9AHTR1A | |
| SCHEMBL5355999 | 0.83 | DPP4 (0.58) | HDAC3HDAC1NPC1RAB9AHTR1A | |
| SCHEMBL8294992 | 0.83 | DPP8 (0.41) | — | |
| Hydrochloric Acid SCHEMBL5346118 | 0.82 | DPP4 (0.57) | HDAC3HDAC1NPC1RAB9AHTR1A |
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-2005019168-A2 | FLUORINATED LYSINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS | PFIZER PRODUCTS INC. (US) | 2005-03-03 | — | — | WO | disclosed |