Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.48 |
| ▸ | DRD5 | P21918 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14453656 | 0.89 | LTA4H (0.62) | CYP2D6CYP1A2CYP2C19KDM4EALDH1A1 | |
| SCHEMBL1852361 | 0.87 | CYP2D6 (0.88) | CYP2D6CYP1A2CYP2C19SMN1; SMN2KDM4E | |
| SCHEMBL2029093 | 0.85 | CYP1A2 (0.68) | CYP2D6CYP1A2CYP2C19SMN1; SMN2KDM4E | |
| SCHEMBL216475 | 0.85 | CYP1A2 (0.68) | CYP2D6CYP1A2CYP2C19SMN1; SMN2KDM4E | |
| SCHEMBL25378553 | 0.85 | CYP1A2 (0.68) | CYP2D6CYP1A2CYP2C19SMN1; SMN2KDM4E | |
| SCHEMBL5237000 | 0.83 | CYP1A2 (0.65) | CYP2D6CYP1A2CYP2C19SMN1; SMN2KDM4E | |
| SCHEMBL5239956 | 0.82 | CYP2D6 (0.64) | CYP2D6CYP1A2CYP2C19SMN1; SMN2KDM4E | |
| SCHEMBL13744516 | 0.79 | SMN1; SMN2 (0.66) | CYP2D6SMN1; SMN2KDM4EALDH1A1POLB | |
| SCHEMBL28937449 | 0.78 | POLB (0.64) | CYP2D6SMN1; SMN2KDM4EALDH1A1POLB | |
| SCHEMBL3725632 | 0.78 | SMN1; SMN2 (0.64) | CYP2D6SMN1; SMN2KDM4EPOLBKMT2A |
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-2010125103-A1 | DIKETOPIPERAZINE DERIVATIVES AS P2X7 MODULATORS | GLAXO GROUP LIMITED (GB) | 2010-11-04 | — | — | WO | disclosed |