Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CBFB | Q13951 | 5/20 | 0.44 |
| ▸ | WNT1 | P04628 | 4/20 | 0.43 |
| ▸ | TGFBR1 | P36897 | 4/20 | 0.43 |
| ▸ | DHODH | Q02127 | 2/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL14645905 | 0.80 | CBFB (0.65) | CBFBWNT1TGFBR1DHODHPARP1 | |
| SCHEMBL3667468 | 0.80 | PARP1 (0.45) | TGFBR1PARP1SMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL13504643 | 0.78 | CBFB (0.57) | CBFBWNT1TGFBR1DHODHPARP1 | |
| SCHEMBL6675174 | 0.76 | HTT (0.39) | TGFBR1PARP1SMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL3665777 | 0.75 | CCNE1 (0.40) | TGFBR1PARP1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL3667347 | 0.75 | MAPK14 (0.42) | CBFBTGFBR1PARP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL2918049 | 0.74 | GRIA1 (0.47) | PARP1SMN1; SMN2ALDH1A1HPGDNPC1 | |
| Water SCHEMBL4777584 | 0.74 | GRIA1 (0.47) | PARP1SMN1; SMN2ALDH1A1HPGDNPC1 | |
| SCHEMBL3666596 | 0.74 | CYP2A6 (0.37) | TGFBR1DHODHPARP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL3672899 | 0.74 | CYP2A6 (0.40) | TGFBR1DHODHPARP1SMN1; SMN2ALDH1A1 |
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 |