Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | ACP1 | P24666 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27856957 | 0.79 | NOTUM (0.62) | ACP1CES2CES1HDAC3HDAC8 | |
| SCHEMBL1006449 | 0.78 | PARP1 (0.60) | PARP1POLBHCAR2ALDH1A1CYP3A4 | |
| SCHEMBL1168105 | 0.77 | HTT (0.43) | PARP1POLBHCAR2CES2CES1 | |
| SCHEMBL31554264 | 0.77 | CES2 (0.52) | PARP1POLBHCAR2CES2CES1 | |
| SCHEMBL31554270 | 0.77 | CES2 (0.52) | PARP1POLBHCAR2CES2CES1 | |
| SCHEMBL514939 | 0.75 | PARP1 (0.69) | PARP1ALDH1A1TSHRKDM4ETP53 | |
| SCHEMBL2169888 | 0.74 | PARP1 (0.39) | PARP1POLBHCAR2ACP1CES2 | |
| SCHEMBL8361 | 0.74 | TTR (0.56) | POLBHCAR2CA1CA2ALDH1A1 | |
| SCHEMBL29175300 | 0.74 | TTR (0.62) | CA1CA2ALDH1A1CYP3A4TSHR | |
| SCHEMBL11781303 | 0.72 | NOTUM (0.38) | PARP1POLBHCAR2ACP1CES2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1114834-A | antidiabetic agent | OTSUKA PHARMA CO LTD (JP) | 1996-01-10 | — | — | CN | disclosed |
| EP-0670831-A1 | QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-09-13 | — | — | EP | disclosed |
| WO-1995009159-A1 | QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1995-04-06 | — | — | WO | disclosed |