Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | LDHA | P00338 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL3977600 | 0.98 | CA1 (0.32) | CA1CA2CA9LDHAALDH1A1 | |
| SCHEMBL4503382 | 0.81 | TDP1 (0.35) | ALDH1A1CYP3A4 | |
| SCHEMBL4327315 | 0.77 | DDB1 (0.41) | CA1CA2CA9ALDH1A1CYP3A4 | |
| SCHEMBL3972509 | 0.77 | CA1 (0.38) | CA1CA2CA9ALDH1A1 | |
| SCHEMBL2313060 | 0.64 | — | — | |
| SCHEMBL6903494 | 0.64 | KDM4E (0.40) | ALDH1A1 | |
| SCHEMBL877644 | 0.62 | KDM4E (0.41) | ALDH1A1 | |
| SCHEMBL1471141 | 0.62 | — | — | |
| SCHEMBL16468399 | 0.60 | POLB (0.46) | LDHAALDH1A1 | |
| SCHEMBL16468397 | 0.60 | POLB (0.46) | LDHAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1412326-A1 | BUTYRIC ACID DERIVATIVES | MERCK PATENT GmbH (DE) | 2004-04-28 | — | — | EP | disclosed |
| WO-2003011819-A1 | BUTYRIC ACID DERIVATIVES | MERCK PATENT GMBH (DE) | 2003-02-13 | — | — | WO | disclosed |