Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 10/20 | 0.60 |
| ▸ | AHR | P35869 | 2/20 | 0.54 |
| ▸ | PKM | P14618 | 2/20 | 0.53 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.53 |
| ▸ | IDO1 | P14902 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.49 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1556955 | 0.83 | GAA (0.60) | GAAAHRPKMSMYD3IDO1 | |
| SCHEMBL689168 | 0.83 | GAA (0.60) | GAAAHRPKMSMYD3IDO1 | |
| SCHEMBL2203244 | 0.83 | GAA (0.64) | GAAAHRPKMSMYD3IDO1 | |
| SCHEMBL517067 | 0.83 | GAA (0.60) | GAAAHRPKMSMYD3IDO1 | |
| Hydrochloric Acid SCHEMBL28865546 | 0.81 | GAA (0.62) | GAAAHRPKMSMYD3IDO1 | |
| SCHEMBL6602558 | 0.80 | GAA (0.57) | GAAAHRPKMSMYD3IDO1 | |
| SCHEMBL689464 | 0.79 | GAA (0.56) | GAAAHRPKMSMYD3IDO1 | |
| SCHEMBL30437651 | 0.79 | SMYD3 (0.64) | GAAAHRPKMSMYD3IDO1 | |
| SCHEMBL689118 | 0.79 | PKM (0.64) | GAAAHRPKMSMYD3IDO1 | |
| SCHEMBL13657421 | 0.79 | GAA (0.56) | GAAAHRPKMSMYD3IDO1 |
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 5 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-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 |
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 | GAA 3479/4885AHR 2573/4885PKM 3269/4885 |
| US-20110178061-A1 | HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS | CACNA1D, ORAI1, CACNA1C | GAA 3479/4885AHR 2573/4885PKM 3269/4885 |
“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.