Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 13/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 12/20 | 0.50 |
| ▸ | PDE4C | Q08493 | 11/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 11/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | VEGFA | P15692 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | PDE5A | O76074 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11844345 | 0.98 | PDE4A (0.51) | PDE4APDE4BPDE4CPDE4DGAA | |
| SCHEMBL7419187 | 0.89 | PDE4B (0.66) | PDE4APDE4BPDE4CPDE4DCYP3A4 | |
| SCHEMBL28890937 | 0.87 | PDE4B (0.43) | PDE4APDE4BPDE4CPDE4DCYP3A4 | |
| SCHEMBL17185831 | 0.85 | MAPK1 (0.45) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL17185968 | 0.85 | ALDH1A1 (0.44) | PDE4APDE4BPDE4CPDE4DGAA | |
| SCHEMBL18418762 | 0.85 | ALDH1A1 (0.52) | PDE4APDE4BPDE4CPDE4DGAA | |
| SCHEMBL31615321 | 0.82 | APP (0.52) | PDE4APDE4BPDE4CPDE4DRAB9A | |
| SCHEMBL18422425 | 0.82 | PDE4A (0.56) | PDE4APDE4BPDE4CPDE4DRAB9A | |
| SCHEMBL28414869 | 0.81 | PTAFR (0.51) | ALDH1A1LMNAMAPTKMT2A | |
| SCHEMBL7209583 | 0.81 | ALDH1A1 (0.54) | PDE4AALDH1A1LMNACYP1A2MAPT |
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-8436005-B2 | Macrocyclic pyrimidine derivatives | ABBOTT LABORATORIES (US) | 2013-05-07 | — | — | US | disclosed |
| US-20090253678-A1 | MACROCYCLIC PYRIMIDINE DERIVATIVES | ABBOTT LABORATORIES (US) | 2009-10-08 | — | — | 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-20090253678-A1 | MACROCYCLIC PYRIMIDINE DERIVATIVES | DPYD, TYMS, TYMP | PDE4A 1821/4885PDE4B 1676/4885PDE4C 1636/4885 |
“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.