Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 3/20 | 0.32 |
| ▸ | KRAS | P01116 | 4/20 | 0.32 |
| ▸ | ATR | Q13535 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1624492 | 0.99 | CHEK2 (0.41) | CHEK2MTORKRASATRBRD4 | |
| SCHEMBL1623234 | 0.88 | CHEK2 (0.39) | CHEK2ATRHCRTR1ALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL1622837 | 0.87 | CHEK2 (0.39) | CHEK2ATRHCRTR1ALDH1A1CYP1A2 | |
| SCHEMBL6110398 | 0.85 | CHEK2 (0.45) | CHEK2KRAS | |
| SCHEMBL1623253 | 0.83 | CHEK2 (0.44) | CHEK2KRAS | |
| SCHEMBL1621531 | 0.83 | SMAD3 (0.39) | CHEK2MTORATRHCRTR1HCRTR2 | |
| SCHEMBL184162 | 0.81 | CHEK2 (0.44) | CHEK2KRAS | |
| SCHEMBL183847 | 0.80 | CHEK2 (0.41) | CHEK2KRASNPC1RAB9A | |
| SCHEMBL12935503 | 0.79 | CHEK2 (0.49) | CHEK2KRASHCRTR1HCRTR2ALDH1A1 | |
| SCHEMBL12935502 | 0.79 | CHEK2 (0.49) | CHEK2KRASHCRTR1HCRTR2ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8283354-B2 | Voltage gated sodium and calcium channel inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-10-09 | — | — | US | disclosed |
| US-7928107-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-04-19 | — | — | US | disclosed |
| US-20060173018-A1 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED | 2006-08-03 | — | — | 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-20060173018-A1 | Quinazolines useful as modulators of ion channels | KCNQ1, KCNQ2, KCNN3 | CHEK2 2935/4885MTOR 2821/4885KRAS 2189/4885 |
“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.