Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.61 |
| ▸ | CES1 | P23141 | 5/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | KCNN4 | O15554 | 4/20 | 0.42 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.38 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2393152 | 0.85 | CES2 (0.46) | CES2CES1GAAKCNN4ALDH1A1 | |
| SCHEMBL29658706 | 0.84 | CES2 (0.64) | CES2CES1GAAKCNN4 | |
| SCHEMBL19716935 | 0.84 | CES2 (0.64) | CES2CES1GAAKCNN4 | |
| SCHEMBL4245530 | 0.83 | GAA (0.53) | CES2CES1GAAKCNN4CNR2 | |
| SCHEMBL1671676 | 0.81 | CES2 (0.63) | CES2CES1GAAKCNN4CNR2 | |
| SCHEMBL30670483 | 0.81 | CES2 (0.63) | CES2CES1GAAKCNN4CNR2 | |
| SCHEMBL469655 | 0.81 | CES2 (0.63) | CES2CES1GAAKCNN4CNR2 | |
| SCHEMBL11354965 | 0.81 | CES2 (0.63) | CES2CES1GAAKCNN4CNR2 | |
| SCHEMBL20992975 | 0.79 | CES2 (0.61) | CES2CES1GAACNR2CYP3A4 | |
| SCHEMBL29362410 | 0.79 | CES2 (0.61) | CES2CES1GAACNR2CYP3A4 |
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-6743791-B2 | ANTICANCER AGENTS; ANTIINFLAMMATORY AGENTS | VERTEX PHARMACEUTICALS INCORPORATED | 2004-06-01 | — | — | US | claimed |
| US-20030092714-A1 | Heterocyclic inhibitors of ERK2 and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2003-05-15 | — | — | US | claimed |
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-20030092714-A1 | Heterocyclic inhibitors of ERK2 and uses thereof | MAPK1, MAPK3, MAP2K2 | CES2 4025/4885CES1 2574/4885GAA 4602/4885 |
“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.