Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.47 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 2/20 | 0.35 |
| ▸ | F10 | P00742 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.34 |
| ▸ | ALOX15B | O15296 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 2/20 | 0.31 |
| ▸ | FLT1 | P17948 | 1/20 | 0.31 |
| ▸ | FLT4 | P35916 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL589410 | 0.85 | NR2E1 (0.44) | NR2E1F2F10KDM4EALDH1A1 | |
| SCHEMBL710630 | 0.81 | NR2E1 (0.54) | NR2E1F2F10KDM4EALDH1A1 | |
| SCHEMBL22729958 | 0.80 | NR2E1 (0.39) | NR2E1F2F10ABL1 | |
| SCHEMBL8429953 | 0.76 | PDE4A (0.48) | PDE4APDE4BPDE4CPDE4DKDM4E | |
| SCHEMBL28005753 | 0.74 | NPC1 (0.48) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL10902250 | 0.74 | MAPT (0.43) | PDE4APDE4BPDE4CPDE4DKDM4E | |
| SCHEMBL13530934 | 0.70 | NR2E1 (0.57) | NR2E1ALDH1A1NOS3NOS2MAPT | |
| SCHEMBL8830212 | 0.69 | CYP3A4 (0.54) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL8739094 | 0.67 | NR2E1 (0.50) | NR2E1NOS3NOS2MAPTTSHR | |
| SCHEMBL12012876 | 0.67 | NR2E1 (0.62) | NR2E1ALDH1A1NOS3NOS2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-20090176781-A1 | Acetylenic Heteroaryl Compounds | ARIAD PHARMACEUTICALS, INC. | 2009-07-09 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090176781-A1 | Acetylenic Heteroaryl Compounds | NAT1, AADAC, ACACA | NR2E1 1890/4885PDE4A 3425/4885PDE4B 3236/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.