Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | CCNT1 | O60563 | 4/20 | 0.42 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.42 |
| ▸ | CDK2 | P24941 | 4/20 | 0.42 |
| ▸ | CDK9 | P50750 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.40 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.39 |
| ▸ | EIF2AK2 | P19525 | 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 | |
|---|---|---|---|---|
| SCHEMBL13309353 | 0.83 | ADRB1 (0.52) | ADRB1ACHEKDM4EALDH1A1HTR7 | |
| Hydrochloric Acid SCHEMBL3273474 | 0.82 | KDM4E (0.51) | ADRB1ACHEKDM4EALDH1A1HTR7 | |
| SCHEMBL3534834 | 0.81 | SMARCA2 (0.53) | ADRB1ACHEKDM4EALDH1A1HTR7 | |
| SCHEMBL12469782 | 0.78 | FAAH (0.54) | ADRB1ACHEKDM4EALDH1A1HTR7 | |
| SCHEMBL26985639 | 0.77 | HTR7 (0.56) | ADRB1KDM4EALDH1A1HTR7CCNT1 | |
| SCHEMBL31505935 | 0.77 | HTR7 (0.56) | ADRB1KDM4EALDH1A1HTR7CCNT1 | |
| SCHEMBL3529715 | 0.77 | CYP1A2 (0.66) | ADRB1KDM4EALDH1A1HTR7CYP1A2 | |
| Hydrochloric Acid SCHEMBL3268535 | 0.77 | FAAH (0.53) | ADRB1ACHEKDM4EALDH1A1HTR7 | |
| SCHEMBL2225874 | 0.76 | KMT2A (0.57) | ADRB1ACHEKDM4EALDH1A1HTR7 | |
| Hydrochloric Acid SCHEMBL3272283 | 0.75 | ALDH1A1 (0.57) | ADRB1ACHEKDM4EALDH1A1HTR7 |
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 | ADRB1 1646/4885ACHE 1100/4885KDM4E 2470/4885 |
“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.