Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.66 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.42 |
| ▸ | ITGB2 | P05107 | 3/20 | 0.40 |
| ▸ | ICAM1 | P05362 | 3/20 | 0.40 |
| ▸ | ITGAL | P20701 | 3/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.38 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3274302 | 0.83 | CYP1A2 (0.71) | CYP1A2CYP2C19ALOX15ALDH1A1NPC1 | |
| SCHEMBL3530207 | 0.81 | CYP1A2 (0.73) | CYP1A2CYP2C19ALOX15ALDH1A1NPC1 | |
| SCHEMBL3268992 | 0.78 | CYP1A2 (0.64) | CYP1A2CYP2C19ALOX15ALDH1A1NPC1 | |
| SCHEMBL3530819 | 0.77 | PIM2 (0.48) | CYP1A2CYP2C19ALDH1A1PLD1ADRB1 | |
| SCHEMBL4607309 | 0.76 | CYP1A2 (0.43) | CYP1A2CYP2C19ALOX15NPC1TSHR | |
| Hydrochloric Acid SCHEMBL3268512 | 0.75 | NPC1 (0.70) | CYP1A2CYP2C19ALDH1A1NPC1TSHR | |
| SCHEMBL3529715 | 0.74 | CYP1A2 (0.66) | CYP1A2CYP2C19ALDH1A1TSHRPLD1 | |
| SCHEMBL3527334 | 0.74 | ADRB1 (0.49) | CYP1A2ALDH1A1PLD1ADRB1HTR7 | |
| SCHEMBL3275107 | 0.74 | CYP1A2 (0.59) | CYP1A2CYP2C19ALOX15ALDH1A1NPC1 | |
| SCHEMBL12991342 | 0.73 | CYP1A2 (0.43) | CYP1A2CYP2C19ALOX15ALDH1A1NPC1 |
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 2596/4885CYP2C19 2702/4885ALOX15 2604/4885 |
“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.