Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.60 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.60 |
| ▸ | NOS1 | P29475 | 2/20 | 0.43 |
| ▸ | NOS2 | P35228 | 2/20 | 0.43 |
| ▸ | HRH2 | P25021 | 4/20 | 0.42 |
| ▸ | EEF2K | O00418 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | IGF1R | P08069 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.33 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CACNB4 | O00305 | 1/20 | 0.33 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.33 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.33 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.33 |
| ▸ | CACNG3 | O60359 | 1/20 | 0.33 |
| ▸ | CACNA1F | O60840 | 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 | |
|---|---|---|---|---|
| SCHEMBL4059024 | 0.96 | HRH3 (0.55) | HRH3HRH4NOS1NOS2HRH2 | |
| SCHEMBL4122282 | 0.79 | HRH3 (0.40) | HRH3HRH4HRH2 | |
| SCHEMBL13650449 | 0.76 | HRH3 (0.49) | HRH3HRH4NOS1NOS2HRH2 | |
| SCHEMBL606676 | 0.75 | HRH4 (1.00) | HRH3HRH4NOS1KCNH2 | |
| SCHEMBL513386 | 0.75 | HRH4 (0.50) | HRH3HRH4NOS1NOS2HRH2 | |
| SCHEMBL606041 | 0.74 | HRH4 (0.67) | HRH3HRH4HRH2KCNH2 | |
| SCHEMBL13650568 | 0.73 | HRH3 (0.49) | HRH3HRH4NOS1NOS2HRH2 | |
| SCHEMBL13650553 | 0.72 | HRH3 (0.46) | HRH3HRH4NOS1NOS2HRH2 | |
| SCHEMBL13654396 | 0.72 | HRH4 (0.68) | HRH3HRH4NOS1HRH2 | |
| SCHEMBL13650476 | 0.72 | HRH4 (0.72) | HRH3HRH4NOS1HRH2KCNH2 |
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 | HRH3 3555/4885HRH4 3370/4885NOS1 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.