Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLYCD | O95822 | 1/20 | 0.43 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | TPMT | P51580 | 1/20 | 0.35 |
| ▸ | CLK1 | P49759 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.34 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.34 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.32 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | HCAR1 | Q9BXC0 | 2/20 | 0.32 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3651911 | 0.89 | MLYCD (0.47) | MLYCDTRPM8CES2CES1CLK1 | |
| SCHEMBL6493529 | 0.87 | MLYCD (0.45) | MLYCDTPMTCLK1DYRK1ADYRK1B | |
| SCHEMBL4719735 | 0.87 | TPMT (0.46) | MLYCDTPMTCLK1DYRK1ADYRK1B | |
| SCHEMBL18374084 | 0.83 | HCAR1 (0.52) | MLYCDTRPM8CES2CES1CLK1 | |
| SCHEMBL12846684 | 0.82 | CES2 (0.41) | CES2CES1TPMTGPBAR1HDAC3 | |
| SCHEMBL1515802 | 0.81 | GPBAR1 (0.43) | MLYCDTRPM8CES2CES1TPMT | |
| SCHEMBL17064363 | 0.81 | MLYCD (0.42) | MLYCDTRPM8CES2CES1CLK1 | |
| SCHEMBL17204872 | 0.81 | CLK1 (0.42) | MLYCDTRPM8CES2CES1CLK1 | |
| SCHEMBL15587365 | 0.81 | MLYCD (0.42) | MLYCDTRPM8CES2CES1CLK1 | |
| SCHEMBL13898624 | 0.81 | MLYCD (0.41) | MLYCDTPMTCLK1DYRK1ADYRK1B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010131145-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | disclosed |
| WO-2010131147-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | disclosed |
| WO-2010131146-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | disclosed |