Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL963660 | 0.82 | CYP2C9 (0.49) | CYP2C9RAB9AALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL963659 | 0.82 | CYP2C9 (0.49) | CYP2C9RAB9AALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL13590567 | 0.82 | CYP2C9 (0.49) | CYP2C9RAB9AALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL5676238 | 0.73 | — | — | |
| SCHEMBL6670387 | 0.71 | — | — | |
| SCHEMBL20448189 | 0.68 | — | — | |
| SCHEMBL17048736 | 0.68 | — | — | |
| SCHEMBL20448190 | 0.68 | — | — | |
| SCHEMBL17048735 | 0.68 | — | — | |
| SCHEMBL1194631 | 0.68 | CYP2C9 (0.47) | CYP2C9RAB9AALDH1A1KMT2ASMN1; SMN2 |
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-1458670-A1 | METHOD FOR PRODUCING 2-HALOGENACYL-3-AMINO-ACRYLIC ACID DERIVATIVES | Bayer Chemicals AG (DE) | 2004-09-22 | — | — | EP | disclosed |
| WO-2003051820-A1 | METHOD FOR PRODUCING 2-HALOGENACYL-3-AMINO-ACRYLIC ACID DERIVATIVES | BAYER CHEMICALS AG (DE) | 2003-06-26 | — | — | WO | disclosed |