Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | PDE2A | O00408 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | GMNN | O75496 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SCN4A | P35499 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12574841 | 0.84 | PDE10A (0.40) | PDE10ANPC1RAB9ASMN1; SMN2PDE2A | |
| SCHEMBL2020170 | 0.82 | KDM4E (0.54) | NPC1RAB9ASMN1; SMN2LMNAGAA | |
| SCHEMBL2024081 | 0.82 | KDM4E (0.54) | NPC1RAB9ASMN1; SMN2LMNAGAA | |
| SCHEMBL14473943 | 0.78 | NPC1 (0.43) | PDE10ANPC1RAB9ASMN1; SMN2PDE2A | |
| SCHEMBL14473949 | 0.78 | NPC1 (0.43) | PDE10ANPC1RAB9ASMN1; SMN2PDE2A | |
| SCHEMBL2020323 | 0.78 | KDM4E (0.49) | PDE10APDE2ASCN4APDE7ADYRK1A | |
| SCHEMBL2021762 | 0.78 | KDM4E (0.49) | PDE10APDE2ASCN4APDE7ADYRK1A | |
| SCHEMBL10111472 | 0.77 | SMN1; SMN2 (0.44) | PDE10ANPC1RAB9ASMN1; SMN2PDE2A | |
| SCHEMBL804844 | 0.77 | SMN1; SMN2 (0.44) | PDE10ANPC1RAB9ASMN1; SMN2PDE2A | |
| SCHEMBL2052776 | 0.75 | KDM4E (0.44) | PDE10ANPC1RAB9ASMN1; SMN2PDE2A |
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-2010027097-A1 | TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2010-03-11 | — | — | WO | disclosed |