Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2165520 | 0.93 | ALDH1A1 (0.35) | ALDH1A1EPHX1LMNA | |
| SCHEMBL2165547 | 0.78 | EPHX1 (0.44) | ALDH1A1EPHX1CYP2C19KMT2AMEN1 | |
| SCHEMBL2163466 | 0.77 | PKM (0.44) | ALDH1A1CYP2C19CYP2C9 | |
| SCHEMBL2164120 | 0.77 | EPHX1 (0.43) | ALDH1A1EPHX1CYP2C19KMT2AMEN1 | |
| SCHEMBL2165063 | 0.75 | EPHX1 (0.41) | ALDH1A1EPHX1CYP2C19KMT2AMEN1 | |
| SCHEMBL164712 | 0.74 | — | — | |
| SCHEMBL13774332 | 0.74 | — | — | |
| SCHEMBL1581176 | 0.74 | — | — | |
| SCHEMBL2164861 | 0.74 | MME (0.34) | ALDH1A1CYP2C19CYP2C9LMNAKDM4E | |
| Acetic Acid SCHEMBL28969691 | 0.73 | ALDH1A1 (0.74) | ALDH1A1EPHX1KMT2AMEN1LMNA |
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-7985762-B2 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-07-26 | — | — | US | disclosed |
| US-20110165120-A1 | INHIBITORS OF SERINE PROTEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-07-07 | — | — | 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-20110165120-A1 | INHIBITORS OF SERINE PROTEASES | PRSS1, PRSS3, PRSS2 | ALDH1A1 1374/4885EPHX1 1666/4885CYP2C19 1191/4885 |
“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.