Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLO1 | Q04760 | 1/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.31 |
| ▸ | FEN1 | P39748 | 1/20 | 0.31 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8658246 | 0.83 | CYP2E1 (0.47) | GLO1CYP2E1CYP2A6CYP2B6FYN | |
| SCHEMBL8660223 | 0.71 | CYP2E1 (0.36) | GLO1CYP2E1CYP2A6CYP2B6FYN | |
| SCHEMBL8406497 | 0.68 | ERCC1 (0.52) | KDM4ENPSR1HSD17B10CA12CA1 | |
| SCHEMBL8488124 | 0.62 | ALDH1A1 (0.37) | CCNE1CDK2CDK8KDM4ENPSR1 | |
| SCHEMBL8987160 | 0.62 | CYP2E1 (0.53) | GLO1CYP2E1CYP2A6CYP2B6CDK8 | |
| SCHEMBL8408833 | 0.61 | GSK3B (0.40) | CYP2E1CYP2A6CYP2B6CCNE1CDK2 | |
| SCHEMBL4736133 | 0.60 | RAB9A (0.69) | KDM4ECA12CA1CA2CA9 | |
| SCHEMBL12407928 | 0.59 | NPC1 (0.58) | CCNE1CDK2KDM4EHSD17B10NPC1 | |
| SCHEMBL4232792 | 0.59 | ALDH1A1 (0.65) | KDM4ETSHRNPSR1NPC1ALDH1A1 | |
| SCHEMBL14417266 | 0.59 | DRD2 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0927192-A1 | MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION | Dr. Karl Thomae GmbH (DE) | 1999-07-07 | — | — | EP | disclosed |
| WO-1998011128-A1 | MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION | DR. KARL THOMAE GMBH (DE) | 1998-03-19 | — | — | WO | disclosed |