Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | USP2 | O75604 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | RAF1 | P04049 | 5/20 | 0.38 |
| ▸ | BRAF | P15056 | 5/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL10150234 | 0.94 | CYP1A2 (0.43) | CYP1A2USP2CYP3A4CLK4CYP2D6 | |
| SCHEMBL10150238 | 0.86 | CYP1A2 (0.45) | CYP1A2USP2CYP3A4CLK4CYP2D6 | |
| SCHEMBL12527275 | 0.84 | CYP1A2 (0.43) | CYP1A2USP2CYP3A4CLK4CYP2D6 | |
| SCHEMBL10150146 | 0.82 | TSHR (0.47) | CYP1A2USP2CYP3A4CLK4CYP2D6 | |
| SCHEMBL10150300 | 0.82 | PIK3CA (0.52) | CYP1A2USP2CYP3A4CLK4CYP2D6 | |
| SCHEMBL8299278 | 0.82 | PIK3CA (0.52) | CYP1A2USP2CYP3A4CLK4CYP2D6 | |
| SCHEMBL10150288 | 0.81 | MTOR (0.53) | CYP1A2USP2CYP3A4CLK4CYP2D6 | |
| SCHEMBL10150322 | 0.74 | PIK3CA (0.52) | CYP1A2USP2CYP3A4CLK4CYP2D6 | |
| SCHEMBL10150285 | 0.74 | KMT2A (0.40) | TSHRALDH1A1MAPTLMNAGLA | |
| SCHEMBL10150366 | 0.73 | TSHR (0.47) | USP2TSHRALDH1A1MAPTLMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120040935-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS | VERTEX PHARMACEUTICALS, INC. (US) | 2012-02-16 | — | — | US | disclosed |
| US-20120040935-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS | VERTEX PHARMACEUTICALS, INC. (US) | 2012-02-16 | — | — | US | disclosed |
| US-7968545-B2 | Compositions useful as inhibitors of voltage-gated ion channels | VERTEX PHARMACEUTICALS INC. (US) | 2011-06-28 | — | — | US | disclosed |
| US-7968545-B2 | Compositions useful as inhibitors of voltage-gated ion channels | VERTEX PHARMACEUTICALS INC. (US) | 2011-06-28 | — | — | 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-20120040935-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS | KCNQ1, KCNN2, KCNH3 | CYP1A2 4286/4885USP2 3883/4885CYP3A4 4208/4885 |
“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.