Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 5/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.34 |
| ▸ | KDR | P35968 | 3/20 | 0.34 |
| ▸ | LTA4H | P09960 | 2/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3039410 | 0.93 | PDGFRB (0.37) | HTTROCK2BRD4CREBBPALDH1A1 | |
| SCHEMBL3040224 | 0.92 | PDE2A (0.38) | PDE2AROCK2BRD4CREBBPNR1H2 | |
| SCHEMBL3038085 | 0.91 | KDM4E (0.37) | PDE2ABRD4CREBBPALDH1A1PDGFRB | |
| SCHEMBL3047029 | 0.91 | NR1H2 (0.37) | BRD4CREBBPNR1H2PARP1 | |
| SCHEMBL3047413 | 0.90 | NR1H2 (0.36) | BRD4CREBBPNR1H2 | |
| SCHEMBL3044252 | 0.88 | BRD4 (0.36) | BRD4CREBBPALDH1A1NR1H2GPR119 | |
| SCHEMBL3037652 | 0.88 | BRD4 (0.38) | BRD4CREBBPALDH1A1NR1H2GPR119 | |
| SCHEMBL3043652 | 0.87 | HSP90AA1 (0.37) | BRD4CREBBPALDH1A1NR1H2GPR119 | |
| SCHEMBL3047734 | 0.87 | VEGFA (0.40) | NR1H2GPR119 | |
| SCHEMBL3048885 | 0.86 | GPR119 (0.37) | BRD4CREBBPALDH1A1PDGFRBKDR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1880993-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2008-01-23 | — | — | EP | disclosed |