Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.47 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.41 |
| ▸ | FEN1 | P39748 | 1/20 | 0.41 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8406497 | 0.85 | ERCC1 (0.52) | SMN1; SMN2ERCC1FEN1ERCC4CA12 | |
| SCHEMBL8518603 | 0.83 | GLO1 (0.40) | CYP2E1CYP2A6CYP2B6GLO1SMN1; SMN2 | |
| SCHEMBL8660223 | 0.81 | CYP2E1 (0.36) | CYP2E1CYP2A6CYP2B6GLO1SMN1; SMN2 | |
| SCHEMBL8987160 | 0.70 | CYP2E1 (0.53) | CYP2E1CYP2A6CYP2B6GLO1SMN1; SMN2 | |
| SCHEMBL5935431 | 0.70 | KMT2A (0.48) | SMN1; SMN2ERCC1FEN1ERCC4CA12 | |
| SCHEMBL4736133 | 0.68 | RAB9A (0.69) | SMN1; SMN2CA12CA1CA2CA9 | |
| SCHEMBL9880650 | 0.67 | ERCC1 (0.49) | SMN1; SMN2ERCC1FEN1ERCC4CA12 | |
| SCHEMBL13806371 | 0.67 | CA12 (0.50) | SMN1; SMN2ERCC1FEN1ERCC4CA12 | |
| SCHEMBL14417266 | 0.67 | DRD2 (0.43) | DRD2DRD4DRD3CCNB2CDK1 | |
| SCHEMBL149952 | 0.67 | CYP2A6 (1.00) | CYP2E1CYP2A6CYP2B6GLO1ALDH1A1 |
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-0927192-A1 | MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION | Dr. Karl Thomae GmbH (DE) | 1999-07-07 | — | — | EP | claimed |
| WO-1998011128-A1 | MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION | DR. KARL THOMAE GMBH (DE) | 1998-03-19 | — | — | WO | claimed |