Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | HPGDS | O60760 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 6/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.41 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2835490 | 0.75 | CYP1A2 (0.53) | EPHX1FOLH1TSHRCYP2C19HSD17B10 | |
| SCHEMBL262279 | 0.75 | CYP1A2 (0.53) | EPHX1FOLH1TSHRCYP2C19HSD17B10 | |
| SCHEMBL17064635 | 0.74 | CTSL (0.54) | SLC6A4PARP1POLBCYP3A4MAPT | |
| SCHEMBL8521596 | 0.72 | EPHX1 (0.45) | EPHX1POLBL3MBTL1ALPIPKM | |
| SCHEMBL8626906 | 0.72 | EPHX1 (0.46) | EPHX1SLC6A4PARP1POLBCYP3A4 | |
| SCHEMBL6283656 | 0.72 | PARP1 (0.47) | SLC6A4PARP1POLBCYP3A4MAPT | |
| SCHEMBL27613443 | 0.71 | PARP1 (0.55) | PARP1POLBCYP3A4MAPTTSHR | |
| SCHEMBL28217944 | 0.71 | FOLH1 (0.56) | SLC6A4FOLH1PARP1ANPEPENPEP | |
| SCHEMBL8578374 | 0.70 | EPHX1 (0.56) | EPHX1POLBL3MBTL1MDM2ANPEP | |
| SCHEMBL28241248 | 0.70 | PARP1 (0.49) | SLC6A4OPRM1PARP1POLBCYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0944582-B1 | KETOBENZAMIDES AS CALPAIN INHIBITORS | ABBOTT GMBH & CO KG (DE) | 2003-07-02 | — | — | EP | disclosed |
| EP-0944582-A1 | KETOBENZAMIDES AS CALPAIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1999-09-29 | — | — | EP | disclosed |
| WO-1998025883-A1 | KETOBENZAMIDES AS CALPAIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1998-06-18 | — | — | WO | disclosed |