Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 3/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | APEX1 | P27695 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.44 |
| ▸ | TACR2 | P21452 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | SHBG | P04278 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL574486 | 0.85 | LMNA (0.61) | HDAC1HDAC6ALDH1A1LMNATP53 | |
| SCHEMBL5031990 | 0.82 | HDAC1 (0.48) | HDAC1HDAC6ALDH1A1POLBAPEX1 | |
| SCHEMBL375755 | 0.79 | FNTA (0.59) | HDAC1HDAC6ALDH1A1ESR1TDP1 | |
| SCHEMBL4489409 | 0.77 | MLYCD (0.64) | HDAC1HDAC6ALDH1A1ESR1ESR2 | |
| SCHEMBL9416625 | 0.77 | HDAC1 (0.56) | HDAC1HDAC6TDP1LTB4R2PKM | |
| SCHEMBL9416644 | 0.76 | ALDH1A1 (0.50) | ALDH1A1ALDH2ESR1ESR2LMNA | |
| SCHEMBL1206711 | 0.76 | HRH3 (0.69) | ALDH1A1ALDH2ESR1LMNAADRA2A | |
| SCHEMBL14362172 | 0.76 | DPP4 (0.54) | — | |
| SCHEMBL5933504 | 0.76 | ALDH1A1 (0.58) | HDAC1HDAC6ALDH1A1ALDH2POLB | |
| SCHEMBL11142759 | 0.76 | LMNA (0.64) | HDAC1HDAC6ALDH1A1ALDH2LMNA |
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 2 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-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 | HDAC1 886/4885HDAC6 1591/4885ALDH1A1 1604/4885 |
“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.