Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | MLLT1 | Q03111 | 1/20 | 0.60 |
| ▸ | HTT | P42858 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | CNR2 | P34972 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL10293112 | 1.00 | ALDH1A1 (0.61) | ALDH1A1TDP1MLLT1HTTKMT2A | |
| SCHEMBL8276818 | 0.92 | KMT2A (0.62) | ALDH1A1TDP1MLLT1HTTKMT2A | |
| SCHEMBL10293180 | 0.91 | KMT2A (0.60) | ALDH1A1TDP1MLLT1HTTKMT2A | |
| SCHEMBL8276779 | 0.87 | CNR1 (0.58) | ALDH1A1TDP1MLLT1HTTKMT2A | |
| SCHEMBL10293126 | 0.85 | CNR1 (0.57) | ALDH1A1TDP1MLLT1KMT2AMAPK1 | |
| SCHEMBL10293210 | 0.84 | NAMPT (0.54) | ALDH1A1TDP1KMT2AKDM4ETSHR | |
| SCHEMBL10293204 | 0.82 | NAMPT (0.52) | ALDH1A1KMT2AKDM4ESMN1; SMN2TSHR | |
| SCHEMBL10293122 | 0.81 | NAMPT (0.59) | ALDH1A1KDM4ESMN1; SMN2TSHRGAA | |
| SCHEMBL10293150 | 0.81 | CNR1 (0.52) | MLLT1KMT2AMEN1CNR2 | |
| SCHEMBL10293116 | 0.80 | NAMPT (0.51) | ALDH1A1HTTKMT2AKDM4ESMN1; SMN2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8211935-B2 | Heterocyclic derivatives for modulation of calcium channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-03 | — | — | US | disclosed |
| US-20110178061-A1 | HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-07-21 | — | — | US | disclosed |
| US-7888384-B2 | Heterocyclic derivatives for modulation of calcium channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-02-15 | — | — | US | disclosed |
| US-7888384-B2 | Heterocyclic derivatives for modulation of calcium channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-02-15 | — | — | US | disclosed |
| US-20090253682-A1 | HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED | 2009-10-08 | — | — | US | disclosed |
| US-20090253682-A1 | HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED | 2009-10-08 | — | — | US | disclosed |
| US-7569604-B2 | Heterocyclic derivatives for modulation of calcium channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-08-04 | — | — | US | disclosed |
| US-7569604-B2 | Heterocyclic derivatives for modulation of calcium channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-08-04 | — | — | 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 (2 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-20090253682-A1 | HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS | CACNA1D, ORAI1, CACNA1C | ALDH1A1 3826/4885TDP1 4014/4885MLLT1 4258/4885 |
| US-20110178061-A1 | HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS | CACNA1D, ORAI1, CACNA1C | ALDH1A1 3826/4885TDP1 4014/4885MLLT1 4258/4885 |
“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.