Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | MLYCD | O95822 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ITGAV | P06756 | 2/20 | 0.41 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.41 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | ESRRG | P62508 | 1/20 | 0.39 |
| ▸ | NAAA | Q02083 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL10244781 | 0.83 | SMN1; SMN2 (0.58) | HDAC3HDAC1MLYCDALDH1A1PTK2 | |
| SCHEMBL16357638 | 0.80 | HDAC3 (0.57) | HDAC3HDAC1ALDH1A1MAPK1NOS3 | |
| SCHEMBL6360179 | 0.79 | L3MBTL1 (0.50) | HDAC3HDAC1ALDH1A1ITGAVITGA2 | |
| SCHEMBL14996246 | 0.79 | TRPA1 (0.56) | HDAC3HDAC1ALDH1A1ITGAVITGA2 | |
| SCHEMBL12203826 | 0.78 | NAAA (0.63) | HDAC3HDAC1MLYCDSMN1; SMN2LMNA | |
| SCHEMBL8638091 | 0.76 | HDAC3 (0.51) | HDAC3HDAC1ITGAVITGA2MAPK1 | |
| SCHEMBL18912552 | 0.76 | MAOB (0.54) | HDAC3HDAC1ITGAVITGA2PTK2 | |
| SCHEMBL1231519 | 0.75 | HDAC3 (0.57) | HDAC3HDAC1ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL3273821 | 0.75 | PTK2 (0.50) | HDAC3HDAC1ITGAVITGA2PTK2 | |
| SCHEMBL7365951 | 0.75 | TRPA1 (0.59) | HDAC3HDAC1ITGAVITGA2SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8455497-B2 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-06-04 | — | — | US | disclosed |
| US-8455497-B2 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-06-04 | — | — | US | disclosed |
| US-20090274650-A1 | INHIBITORS OF ASPARTYL PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED | 2009-11-05 | — | — | 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 (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-20090274650-A1 | INHIBITORS OF ASPARTYL PROTEASE | SPINT2, DNPEP, PRSS1 | HDAC3 1196/4885HDAC1 886/4885MLYCD 2639/4885 |
“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.