Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.43 |
| ▸ | LMNA | P02545 | 6/20 | 0.43 |
| ▸ | CCR1 | P32246 | 2/20 | 0.43 |
| ▸ | CCR5 | P51681 | 2/20 | 0.43 |
| ▸ | CCR8 | P51685 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | METAP1 | P53582 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.43 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 5/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6524545 | 0.81 | CHEK1 (0.49) | BTKKDM4ELMNACCR1CCR5 | |
| SCHEMBL5039401 | 0.77 | TGFBR1 (0.54) | BTKKDM4ELMNACCR1CCR5 | |
| SCHEMBL6679694 | 0.73 | PDE10A (0.47) | BTKKDM4ELMNACCR1CCR5 | |
| SCHEMBL29664837 | 0.69 | NOTUM (0.52) | BTKKDM4ELMNACCR1CCR5 | |
| SCHEMBL1194066 | 0.69 | BTK (0.58) | BTKKDM4ELMNACCR1CCR5 | |
| SCHEMBL5709792 | 0.69 | NOTUM (0.52) | BTKKDM4ELMNACCR1CCR5 | |
| SCHEMBL26453218 | 0.68 | TGFBR1 (0.60) | KDM4ELMNACCR1CCR5CCR8 | |
| SCHEMBL30919457 | 0.68 | TGFBR1 (0.60) | KDM4ELMNACCR1CCR5CCR8 | |
| SCHEMBL14341067 | 0.67 | KDM4E (0.56) | BTKKDM4ELMNACCR1CCR5 | |
| SCHEMBL353379 | 0.66 | KDM4E (0.71) | BTKKDM4ELMNACCR1CCR5 |
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-1465626-A2 | PHARMACEUTICAL COMPOSITIONS COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY OR AN ANTIINFLAMMATORY AGENT AND THEIR USES | Eisai Co., Ltd. (JP) | 2004-10-13 | — | — | EP | disclosed |
| WO-2003047577-A2 | PHARMACEUTICAL COMPOSITIONS COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY OR AN ANTIINFLAMMATORY AGENT AND THEIR USES | EISAI CO LTD (JP) | 2003-06-12 | — | — | WO | disclosed |