Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.43 |
| ▸ | ITGB2 | P05107 | 3/20 | 0.42 |
| ▸ | ICAM1 | P05362 | 3/20 | 0.42 |
| ▸ | ITGAL | P20701 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | RET | P07949 | 2/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12991342 | 1.00 | CYP1A2 (0.43) | CYP1A2ITGB2ICAM1ITGALCYP2C19 | |
| SCHEMBL12991226 | 0.88 | FAAH (0.47) | CYP1A2ITGB2ICAM1ITGALCYP2C19 | |
| SCHEMBL3535125 | 0.88 | FAAH (0.47) | CYP1A2ITGB2ICAM1ITGALCYP2C19 | |
| SCHEMBL3531585 | 0.88 | CYP1A2 (0.46) | CYP1A2ITGB2ICAM1ITGALCYP2C19 | |
| SCHEMBL12991603 | 0.88 | CYP1A2 (0.46) | CYP1A2ITGB2ICAM1ITGALCYP2C19 | |
| SCHEMBL12991499 | 0.83 | DPP4 (0.38) | RETKDM4EALDH1A1NPSR1HSD17B10 | |
| SCHEMBL3532230 | 0.83 | DPP4 (0.38) | RETKDM4EALDH1A1NPSR1HSD17B10 | |
| SCHEMBL12991293 | 0.83 | ITGB2 (0.51) | CYP1A2ITGB2ICAM1ITGALCYP2C19 | |
| SCHEMBL3529053 | 0.81 | SORD (0.40) | FAAHHSD17B10DPP4DPP7 | |
| SCHEMBL12991303 | 0.81 | SORD (0.40) | FAAHHSD17B10DPP4DPP7 |
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-7858786-B2 | Pyrimidines and pyrazines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCOROPATED (US) | 2010-12-28 | — | — | US | disclosed |
| US-20070093454-A1 | Pyrimidines and pyrazines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED | 2007-04-26 | — | — | 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-20070093454-A1 | Pyrimidines and pyrazines useful as modulators of ion channels | KCNJ1, KCNJ2, KCNJ11 | CYP1A2 2596/4885ITGB2 4649/4885ICAM1 4095/4885 |
“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.