Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | USP2 | O75604 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12990890 | 1.00 | ALDH1A1 (0.43) | ALDH1A1CYP1A2USP2CYP3A4CYP2D6 | |
| SCHEMBL12991336 | 0.89 | FAAH (0.47) | ALDH1A1CYP1A2USP2CYP3A4CYP2D6 | |
| SCHEMBL3529121 | 0.89 | FAAH (0.47) | ALDH1A1CYP1A2USP2CYP3A4CYP2D6 | |
| SCHEMBL3530104 | 0.87 | DPP4 (0.44) | ALDH1A1CYP1A2USP2CYP3A4CYP2D6 | |
| SCHEMBL12991221 | 0.87 | DPP4 (0.44) | ALDH1A1CYP1A2USP2CYP3A4CYP2D6 | |
| SCHEMBL3555934 | 0.84 | TSHR (0.42) | ALDH1A1USP2KDM4EHSD17B10HPGD | |
| SCHEMBL3558400 | 0.84 | TSHR (0.42) | ALDH1A1USP2KDM4EHSD17B10HPGD | |
| SCHEMBL3532358 | 0.82 | SORD (0.43) | HSD17B10TSHRMAPK1SMN1; SMN2GBA1 | |
| SCHEMBL12991224 | 0.82 | SORD (0.43) | HSD17B10TSHRMAPK1SMN1; SMN2GBA1 | |
| SCHEMBL12991337 | 0.82 | ALDH1A1 (0.45) | ALDH1A1CYP1A2USP2CYP3A4CYP2D6 |
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 | ALDH1A1 2382/4885CYP1A2 2596/4885USP2 4748/4885 |
“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.