Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.41 |
| ▸ | CASP1 | P29466 | 9/20 | 0.41 |
| ▸ | CASP7 | P55210 | 9/20 | 0.41 |
| ▸ | USP2 | O75604 | 8/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 7/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.41 |
| ▸ | TSHR | P16473 | 5/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | WDR5 | P61964 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11923277 | 0.99 | ALDH1A1 (0.41) | ALDH1A1CASP1CASP7USP2HIF1A | |
| SCHEMBL8267732 | 0.98 | ALDH1A1 (0.40) | ALDH1A1CASP1CASP7USP2HIF1A | |
| SCHEMBL11923283 | 0.98 | ALDH1A1 (0.42) | ALDH1A1CASP1CASP7USP2HIF1A | |
| SCHEMBL11923292 | 0.97 | ALDH1A1 (0.41) | ALDH1A1CASP1CASP7USP2HIF1A | |
| SCHEMBL11923186 | 0.94 | PDE4B (0.38) | ALDH1A1CASP1CASP7USP2HIF1A | |
| SCHEMBL11923243 | 0.93 | FFAR1 (0.39) | CYP3A4CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL8266507 | 0.92 | L3MBTL1 (0.39) | CYP3A4CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL11923189 | 0.92 | L3MBTL1 (0.39) | CYP3A4CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL8267722 | 0.91 | FFAR1 (0.39) | CYP3A4CYP2C9CYP2C19CYP1A2HSD17B10 | |
| SCHEMBL8267486 | 0.89 | PDE4B (0.35) | ALDH1A1CASP1CASP7USP2HIF1A |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8546414-B2 | Ion channel modulators and methods of use | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-10-01 | — | — | US | disclosed |
| US-8546414-B2 | Ion channel modulators and methods of use | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-10-01 | — | — | US | disclosed |
| US-20120270318-A1 | ION CHANNEL MODULATORS AND METHODS OF USE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-10-25 | — | — | US | disclosed |
| US-20120270318-A1 | ION CHANNEL MODULATORS AND METHODS OF USE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-10-25 | — | — | US | disclosed |
| US-8236815-B2 | Ion channel modulators and methods of uses | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-08-07 | — | — | US | disclosed |
| US-8236815-B2 | Ion channel modulators and methods of uses | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-08-07 | — | — | US | disclosed |
| US-7767680-B2 | Ion channel modulators and methods of use | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-08-03 | — | — | US | disclosed |
| US-7767680-B2 | Ion channel modulators and methods of use | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-08-03 | — | — | US | disclosed |
| US-20100184753-A1 | Ion Channel Modulators and Methods of Uses | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-07-22 | — | — | US | disclosed |
| US-20100184753-A1 | Ion Channel Modulators and Methods of Uses | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-07-22 | — | — | US | disclosed |
| WO-2006050476-A2 | PYRIMIDINE DERIVATIVES AS ION CHANNEL MODULATORS AND METHODS OF USE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-05-11 | — | — | WO | 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-20100184753-A1 | Ion Channel Modulators and Methods of Uses | CACNA1G, CACNA1C, CACNA1B | ALDH1A1 3514/4885CASP1 4099/4885CASP7 4202/4885 |
“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.