Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.44 |
| ▸ | CASP1 | P29466 | 8/20 | 0.44 |
| ▸ | CASP7 | P55210 | 8/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 8/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.44 |
| ▸ | USP2 | O75604 | 6/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | NAMPT | P43490 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ABL1 | P00519 | 2/20 | 0.42 |
| ▸ | BCR | P11274 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11923225 | 0.95 | ALDH1A1 (0.44) | ALDH1A1CASP1CASP7HIF1ACYP1A2 | |
| SCHEMBL8267844 | 0.84 | ABL1 (0.53) | ALDH1A1TP53ABL1BCRSMN1; SMN2 | |
| SCHEMBL8268278 | 0.82 | ABL1 (0.52) | ALDH1A1HSD17B10HPGDTP53ABL1 | |
| SCHEMBL8267373 | 0.81 | ABL1 (0.51) | ALDH1A1HSD17B10HPGDTP53ABL1 | |
| SCHEMBL8267648 | 0.81 | PDE4B (0.49) | ALDH1A1CASP1CASP7HSD17B10TSHR | |
| SCHEMBL8267743 | 0.81 | HPGD (0.41) | ALDH1A1CASP1CASP7HIF1ACYP1A2 | |
| SCHEMBL8266816 | 0.81 | ABL1 (0.48) | ALDH1A1TSHRNAMPTTP53ABL1 | |
| SCHEMBL11923288 | 0.79 | ALDH1A1 (0.47) | ALDH1A1CASP1CASP7HIF1ACYP1A2 | |
| SCHEMBL11923375 | 0.78 | KDM4E (0.48) | ALDH1A1HPGDTP53ABL1BCR | |
| SCHEMBL2948308 | 0.78 | PTPN11 (0.52) | ALDH1A1CASP1CASP7HIF1ACYP1A2 |
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.