Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.43 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.42 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.42 |
| ▸ | KMO | O15229 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.39 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.39 |
| ▸ | PIM1 | P11309 | 2/20 | 0.39 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.39 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10474901 | 0.84 | NTRK1 (0.53) | IKBKBNR3C2KDM4EDYRK1BMAP2K1 | |
| SCHEMBL10473295 | 0.84 | CLK4 (0.53) | IKBKBTLR8KDM4EKDM4CDYRK1B | |
| SCHEMBL10473059 | 0.84 | KMO (0.43) | NR3C2TLR8KMOKDM4EKDM4C | |
| SCHEMBL10473420 | 0.82 | MAPT (0.47) | IKBKBTLR8KDM4EJAK2CLK4 | |
| SCHEMBL10473172 | 0.82 | KDM4E (0.61) | TLR8KMOKDM4EDYRK1BPARP1 | |
| SCHEMBL10474874 | 0.81 | TSHR (0.43) | TLR8KDM4EGAANPC1RAB9A | |
| SCHEMBL10474226 | 0.80 | EGLN2 (0.42) | BACE1KDM4EKDM4CJAK2NTRK1 | |
| SCHEMBL10473249 | 0.80 | MKNK1 (0.52) | IKBKBTLR8KDM4EDYRK1BMAP2K1 | |
| SCHEMBL10473048 | 0.77 | MAPT (0.45) | JAK2NTRK1PIM1KDR | |
| SCHEMBL10475196 | 0.76 | NTRK1 (0.55) | IKBKBNR3C2TLR8KDM4CDYRK1B |
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 |
|---|---|---|---|---|---|---|---|
| US-4904658-A | Substituted-6H,8H-pyrimido-[1,2,3-cd]purine-8,10-(9H)-diones and substituted-6H,10H-pyrimido[1,2-cd]purin-10-ones | AMERICAN CYANAMID COMPANY (US) | 1990-02-27 | — | — | US | disclosed |
| US-4888345-A | HYPOTENSIVE AND ANXIOLYTIC AGENTS; CHEMICAL INTERMEDIATES | AMERICAN CYANAMID COMPANY (US) | 1989-12-19 | — | — | US | disclosed |