Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 3/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4380408 | 0.80 | CYP19A1 (0.42) | CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1 | |
| SCHEMBL6748329 | 0.80 | LSS (0.41) | CYP19A1PGRTSHRCA1CA2 | |
| SCHEMBL17064649 | 0.79 | CA1 (0.51) | CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1 | |
| SCHEMBL28425960 | 0.75 | SLC6A2 (0.42) | CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1 | |
| SCHEMBL23882733 | 0.74 | CYP11B1 (0.46) | CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1 | |
| SCHEMBL18280131 | 0.74 | CYP11B1 (0.46) | CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1 | |
| SCHEMBL8736883 | 0.74 | CYP19A1 (0.46) | CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1 | |
| SCHEMBL14685882 | 0.74 | CYP19A1 (0.46) | CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1 | |
| SCHEMBL477399 | 0.73 | SMN1; SMN2 (0.65) | CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1 | |
| SCHEMBL7680971 | 0.73 | CYP3A4 (0.67) | CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040087583-A1 | Amino-thio-acrylonitriles as MEK inhibitors | HOBBS FRANK WORDEN (US) | 2004-05-06 | — | — | US | disclosed |
| US-6703420-B1 | MITOGEN ACTIVATED PROTEIN KINASE (MAPK) INHIBITORS; ANTIINFLAMMATORY, ANTICARCINOGENIC, OR ANTIPROLIFERATIVE AGENTS; RADIOSENSITIZERS | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2004-03-09 | — | — | US | disclosed |
| EP-1163215-A1 | AMINO-THIO-ACRYLONITRILES AS MEK INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2001-12-19 | — | — | EP | disclosed |
| WO-2000056706-A1 | AMINO-THIO-ACRYLONITRILES AS MEK INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-09-28 | — | — | WO | 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-20040087583-A1 | Amino-thio-acrylonitriles as MEK inhibitors | MAPK1, MAP3K1, CDKN1A | CYP17A1 3243/4885CYP11B1 825/4885CYP11B2 1610/4885 |
“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.