Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.68 |
| ▸ | HRH4 | Q9H3N8 | 7/20 | 0.68 |
| ▸ | L3MBTL3 | Q96JM7 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | HRH2 | P25021 | 2/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | CCR4 | P51679 | 1/20 | 0.36 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13650496 | 0.98 | HRH3 (0.68) | HRH3HRH4L3MBTL3L3MBTL1MBTD1 | |
| SCHEMBL13650505 | 0.94 | HRH4 (0.62) | HRH3HRH4L3MBTL3L3MBTL1MBTD1 | |
| SCHEMBL13650640 | 0.92 | HRH4 (0.69) | HRH3HRH4CYP2D6CYP2C19NOS1 | |
| SCHEMBL13650500 | 0.91 | HRH4 (0.65) | HRH3HRH4L3MBTL3L3MBTL1MBTD1 | |
| SCHEMBL13650476 | 0.87 | HRH4 (0.72) | HRH3HRH4NOS1HRH2HRH1 | |
| SCHEMBL13650408 | 0.87 | HRH4 (0.63) | HRH3HRH4HRH2HDAC4 | |
| SCHEMBL13650416 | 0.86 | HRH4 (0.62) | HRH3HRH4NOS1HDAC4 | |
| SCHEMBL13650411 | 0.86 | HRH4 (0.61) | HRH3HRH4NOS1HRH2HDAC4 | |
| SCHEMBL13650441 | 0.85 | HRH4 (0.69) | HRH3HRH4NOS1HRH2HRH1 | |
| SCHEMBL13654396 | 0.84 | HRH4 (0.68) | HRH3HRH4NOS1HRH2HRH1 |
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 5 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-8436005-B2 | Macrocyclic pyrimidine derivatives | ABBOTT LABORATORIES (US) | 2013-05-07 | — | — | US | disclosed |
| WO-2009123967-A1 | 5,6,7,8-TETRAHYDROQUINAZOLIN-2-AMINE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H4 RECEPTOR MODULATORS FOR THE TREATMENT OF ASTHMA | ABBOTT LABORATORIES (US) | 2009-10-08 | — | — | WO | 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 | HRH3 3555/4885HRH4 3370/4885L3MBTL3 1914/4885 |
“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.