Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 9/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28042565 | 0.77 | ADORA2A (0.50) | PDE10AALDH1A1HPGDSMN1; SMN2LMNA | |
| SCHEMBL28042559 | 0.73 | PDE10A (0.58) | PDE10APDE4AHSD17B10PDE4BLMNA | |
| SCHEMBL28042346 | 0.72 | PDE10A (0.59) | PDE10APDE4AHSD17B10PDE4BLMNA | |
| SCHEMBL4988262 | 0.70 | PDE10A (0.41) | PDE10ACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL15905205 | 0.66 | PDE10A (0.53) | PDE10AHSD17B10KMT2AADORA2AADORA1 | |
| Pbf-999 SCHEMBL15905362 | 0.63 | PDE10A (1.00) | PDE10APDE4APDE4BADORA2A | |
| SCHEMBL24921059 | 0.62 | CYP1A2 (0.38) | ALDH1A1HPGDGLASMN1; SMN2CYP1A2 | |
| SCHEMBL9521939 | 0.62 | KMT2A (0.49) | PDE10AALDH1A1HPGDGLASMN1; SMN2 | |
| SCHEMBL17484749 | 0.61 | LMNA (0.38) | PDE10AALDH1A1SMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL1090279 | 0.60 | ALDH1A1 (0.39) | ALDH1A1CYP2D6KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-105008346-A | Novel pyrimidine derivatives as phosphodiesterase 10(PDE-10) inhibitors | PALOBIOFARMA SL | 2015-10-28 | — | — | CN | claimed |
| CN-105008346-A | Novel pyrimidine derivatives as phosphodiesterase 10(PDE-10) inhibitors | PALOBIOFARMA SL | 2015-10-28 | — | — | CN | disclosed |