Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 16/20 | 0.80 |
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.80 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | HRH1 | P35367 | 2/20 | 0.37 |
| ▸ | HRH2 | P25021 | 2/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | TACR2 | P21452 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.37 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13650442 | 0.99 | HRH4 (0.78) | HRH4HRH3NOS1NPY5RKCNH2 | |
| SCHEMBL13650440 | 0.99 | HRH4 (0.82) | HRH4HRH3NOS1NPY5RKCNH2 | |
| SCHEMBL13650443 | 0.98 | HRH4 (0.80) | HRH4HRH3NOS1NPY5RKCNH2 | |
| SCHEMBL603530 | 0.92 | HRH4 (0.93) | HRH4HRH3NOS1KCNH2HRH1 | |
| SCHEMBL606676 | 0.89 | HRH4 (1.00) | HRH4HRH3NOS1KCNH2HRH1 | |
| SCHEMBL13650561 | 0.88 | HRH4 (0.78) | HRH4HRH3NOS1KCNH2HRH1 | |
| SCHEMBL13650328 | 0.87 | HRH4 (0.77) | HRH4HRH3NOS1NPY5RKCNH2 | |
| SCHEMBL13650441 | 0.87 | HRH4 (0.69) | HRH4HRH3NOS1NPY5RHRH1 | |
| SCHEMBL13650564 | 0.85 | HRH4 (0.74) | HRH4HRH3NOS1KCNH2HRH1 | |
| SCHEMBL13650354 | 0.85 | HRH4 (0.73) | HRH4HRH3NOS1KCNH2HRH1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 | HRH4 3370/4885HRH3 3555/4885NOS1 3512/4885 |
“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.