Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.44 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | PREP | P48147 | 2/20 | 0.40 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.40 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.40 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.40 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.40 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.40 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.40 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 2/20 | 0.40 |
| ▸ | KLK7 | P49862 | 1/20 | 0.39 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18591124 | 0.91 | FKBP1A (0.45) | PDK1PDK2PDK3PDK4HTR2C | |
| SCHEMBL6788747 | 0.91 | FKBP1A (0.45) | PDK1PDK2PDK3PDK4HTR2C | |
| SCHEMBL8298601 | 0.87 | MITF (0.48) | HTR2CMITFMAPTHTTPREP | |
| SCHEMBL8279227 | 0.87 | MITF (0.48) | HTR2CMITFMAPTHTTPREP | |
| SCHEMBL13259990 | 0.87 | KLK7 (0.41) | PDK1PDK2PDK3PDK4HTR2C | |
| SCHEMBL12464643 | 0.85 | GRM6 (0.46) | PDK1PDK2PDK3PDK4HTR2C | |
| SCHEMBL703547 | 0.85 | SMN1; SMN2 (0.48) | PDK1PDK2PDK3PDK4HTR2C | |
| SCHEMBL5765399 | 0.85 | SMN1; SMN2 (0.48) | PDK1PDK2PDK3PDK4HTR2C | |
| SCHEMBL3470059 | 0.84 | PREP (0.51) | PREPCASP1SMN1; SMN2CTSL | |
| SCHEMBL19540627 | 0.82 | ALDH1A1 (0.44) | HTR2CPREPPSEN1PSEN2APH1B |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8691848-B2 | Inhibitors of caspases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-04-08 | — | — | US | disclosed |
| EP-2261234-A2 | Inhibitors of caspases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-12-15 | — | — | EP | disclosed |
| EP-2261232-A2 | Inhibitors of caspases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-12-15 | — | — | EP | disclosed |
| EP-2261233-A2 | Inhibitors of caspases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-12-15 | — | — | EP | disclosed |
| EP-2261235-A2 | Inhibitors of caspases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-12-15 | — | — | EP | disclosed |
| US-20090048226-A1 | Inhibitors of caspases | VERTEX PHARMACEUTICALS INCORPORATED | 2009-02-19 | — | — | US | disclosed |
| EP-2011800-A2 | Inhibitors of caspase | Vertex Pharmaceuticals Incorporated (US) | 2009-01-07 | — | — | EP | disclosed |
| US-7358273-B2 | Inhibitors of caspases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-04-15 | — | — | US | disclosed |
| US-20030232986-A1 | Inhibitors of caspases | VERTEX PHARMACEUTICALS INCORPORATED | 2003-12-18 | — | — | US | disclosed |
| US-6531474-B1 | Treating inflammatory disease, osteoarthritis, glomerulonephritis, rheumatoid arthritis, psoriasis, graft vs. host disease, sepsis, or septic shock | VERTEX PHARMACEUTICALS INCORPORATED | 2003-03-11 | — | — | 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-20090048226-A1 | Inhibitors of caspases | CASP1, APAF1, IRF3 | PDK1 1634/4885PDK2 3279/4885PDK3 2312/4885 |
| US-20030232986-A1 | Inhibitors of caspases | CASP1, APAF1, IRF3 | PDK1 1479/4885PDK2 3112/4885PDK3 2047/4885 |
“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.