Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 6/20 | 0.47 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.46 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | BTK | Q06187 | 1/20 | 0.42 |
| ▸ | MAT2A | P31153 | 1/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL6524545 | 0.88 | CHEK1 (0.49) | PDE10ATGFBR1CYP2A6CHEK1IDO1 | |
| SCHEMBL5039401 | 0.87 | TGFBR1 (0.54) | PDE10ATGFBR1CYP2A6CHEK1NPY5R | |
| SCHEMBL2922398 | 0.79 | PDE10A (0.52) | PDE10AALDH1A1GAAHTTKDM4E | |
| SCHEMBL11246077 | 0.77 | CHEK1 (0.48) | CHEK1IDO1BTKLMNAHIF1A | |
| SCHEMBL11097773 | 0.74 | CHEK1 (0.46) | CHEK1IDO1BTKPDE3BPDE3A | |
| SCHEMBL6676566 | 0.73 | BTK (0.49) | TGFBR1CYP2A6CHEK1IDO1BTK | |
| SCHEMBL6538386 | 0.72 | PDE10A (0.41) | PDE10AMAT2ALMNAALDH1A1KDM4E | |
| SCHEMBL6539040 | 0.72 | PDE10A (0.40) | PDE10AALDH1A1RAB9AKDM4ECYP1A2 | |
| SCHEMBL21197300 | 0.71 | TGFBR1 (0.46) | TGFBR1CYP2A6CHEK1NPY5RBTK | |
| SCHEMBL31276097 | 0.70 | KDM4E (0.65) | TGFBR1CYP2A6NPY5RLMNAHIF1A |
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 |