Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | GPR3 | P46089 | 1/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | PDE2A | O00408 | 2/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MBNL1 | Q9NR56 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30118358 | 0.88 | PIM1 (0.42) | MAPTPARP1GPR3RAD52PDE2A | |
| SCHEMBL2131272 | 0.84 | ACHE (0.41) | MAPTPARP1GPR3RAD52PDE2A | |
| SCHEMBL14764585 | 0.84 | TDP1 (0.40) | MAPTPARP1RAD52PDE2APDE10A | |
| SCHEMBL21857858 | 0.84 | PARP1 (0.40) | MAPTPARP1RAD52PDE2APDE10A | |
| SCHEMBL14734341 | 0.84 | PIM1 (0.40) | MAPTPARP1GPR3RAD52PDE2A | |
| SCHEMBL27993149 | 0.80 | PIM1 (0.44) | GPR3PDE10AKDM4EALDH1A1MEN1 | |
| SCHEMBL14764528 | 0.80 | MAPT (0.41) | MAPTPARP1RAD52KDM4EALDH1A1 | |
| SCHEMBL2018164 | 0.80 | PARP1 (0.37) | MAPTPARP1RAD52PDE10AKDM4E | |
| SCHEMBL14764490 | 0.80 | ALDH1A1 (0.41) | MAPTPARP1RAD52KDM4EALDH1A1 | |
| SCHEMBL14734402 | 0.79 | RAD52 (0.40) | PARP1RAD52PDE10AKDM4ESMN1; SMN2 |
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-104610178-B | A kind of preparation method of the double fluorine benzheterocycle conjugative monomers of iodine atom substitution | 华南理工大学 | 2018-01-05 | — | — | CN | disclosed |
| WO-2013027794-A1 | NOVEL COMPOUND AND USE THEREOF AS PDE10 INHIBITOR | 田辺三菱製薬株式会社 (JP) | 2013-02-28 | — | — | WO | disclosed |