Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.30 |
| ▸ | CDK1 | P06493 | 1/20 | 0.30 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.30 |
| ▸ | GSK3B | P49841 | 1/20 | 0.30 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.30 |
| ▸ | CDK5R1 | Q15078 | 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 | |
|---|---|---|---|---|
| SCHEMBL8560492 | 0.88 | ERCC1 (0.38) | KDM4EHSD17B10NPY5RALDH1A1HPGD | |
| SCHEMBL8658246 | 0.81 | CYP2E1 (0.47) | CYP2E1CYP2A6CYP2B6GLO1KDM4E | |
| SCHEMBL8518603 | 0.71 | GLO1 (0.40) | CYP2E1CYP2A6CYP2B6GLO1KDM4E | |
| SCHEMBL8406497 | 0.67 | ERCC1 (0.52) | KDM4ENPSR1HSD17B10ALDH1A1HPGD | |
| SCHEMBL8987160 | 0.60 | CYP2E1 (0.53) | CYP2E1CYP2A6CYP2B6GLO1KDM4E | |
| SCHEMBL4736133 | 0.58 | RAB9A (0.69) | KDM4EALDH1A1POLBHPGDSMN1; SMN2 | |
| SCHEMBL14417266 | 0.58 | DRD2 (0.43) | CCNB2CDK1CCNB1GSK3BCDK5 | |
| SCHEMBL5935431 | 0.57 | KMT2A (0.48) | KDM4EHSD17B10NPY5RALDH1A1HPGD | |
| SCHEMBL149952 | 0.57 | CYP2A6 (1.00) | CYP2E1CYP2A6CYP2B6GLO1FYN | |
| SCHEMBL13801337 | 0.57 | DRD2 (0.48) | — |
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 | 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 |