Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | FASN | P49327 | 4/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7533724 | 0.89 | ACHE (0.37) | ALDH1A1GAAKMT2APOLB | |
| SCHEMBL7532660 | 0.76 | KDM4E (0.39) | ALDH1A1GAACYP3A4CYP2C19KMT2A | |
| SCHEMBL13558225 | 0.75 | BACE1 (0.42) | CYP3A4CYP2C19FASNBACE1BACE2 | |
| SCHEMBL7536914 | 0.75 | BACE1 (0.42) | CYP3A4CYP2C19FASNBACE1BACE2 | |
| SCHEMBL8194534 | 0.73 | BACE1 (0.46) | ALDH1A1KMT2AFASNBACE1 | |
| SCHEMBL7551495 | 0.73 | BACE1 (0.43) | ALDH1A1KMT2AFASNBACE1POLB | |
| SCHEMBL7544582 | 0.72 | BACE1 (0.50) | CYP3A4CYP2C19BACE1BACE2 | |
| SCHEMBL7532457 | 0.71 | BACE1 (0.39) | ALDH1A1KMT2ABACE1BACE2 | |
| SCHEMBL7562971 | 0.70 | BACE1 (0.41) | KMT2AFASNBACE1 | |
| SCHEMBL7572938 | 0.70 | SCN9A (0.38) | ALDH1A1CYP3A4CYP2C19KMT2AFASN |
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-9416108-B2 | Heterocyclic aspartyl protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-08-16 | — | — | US | disclosed |
| US-20150105354-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | 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-20150105354-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | PRSS1, BCHE, CTSZ | ALDH1A1 4628/4885GAA 1323/4885CYP3A4 928/4885 |
“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.