Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 2/20 | 0.53 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.53 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL3282931 | 0.75 | PDE3A (0.44) | PDE3BPDE3AALDH1A1 | |
| SCHEMBL1335593 | 0.73 | LRRK2 (0.50) | LRRK2GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL293099 | 0.72 | PDE3B (0.77) | PDE3BPDE3APDE7ACA12CA1 | |
| SCHEMBL15427070 | 0.71 | PDE3B (0.45) | PDE3BPDE3ASMN1; SMN2ALDH1A1GSK3B | |
| SCHEMBL30550497 | 0.69 | ALDH1A1 (0.37) | HTR6MAOAMAOBALDH1A1 | |
| SCHEMBL4115777 | 0.69 | CDK5 (0.53) | PDE3BPDE3APDE7ACA12CA1 | |
| SCHEMBL6872181 | 0.69 | PDE3B (0.47) | PDE3BPDE3APDE7ACA12CA1 | |
| SCHEMBL6872187 | 0.69 | PDE3B (0.47) | PDE3BPDE3APDE7ACA12CA1 | |
| SCHEMBL25390183 | 0.67 | PARP1 (0.40) | HTR6CA12CA1CA2CA9 | |
| SCHEMBL30471909 | 0.67 | PARP1 (0.40) | HTR6CA12CA1CA2CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1345603-A4 | (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS | MERCK & CO INC (US) | 2004-09-08 | — | — | EP | disclosed |
| EP-1345603-A1 | (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS | Merck & Co., Inc. (US) | 2003-09-24 | — | — | EP | disclosed |
| WO-2002058695-A1 | (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS | MERCK & CO., INC. (US) | 2002-08-01 | — | — | WO | disclosed |