Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OGA | O60502 | 3/20 | 0.51 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.42 |
| ▸ | TNK1 | Q13470 | 1/20 | 0.42 |
| ▸ | CDC7 | O00311 | 1/20 | 0.40 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.39 |
| ▸ | CDK9 | P50750 | 2/20 | 0.39 |
| ▸ | TMPRSS15 | P98073 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3404518 | 0.87 | OGA (0.43) | OGAPARP1TNK2TNK1CDC7 | |
| SCHEMBL3160220 | 0.85 | SCD (0.47) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL3155607 | 0.84 | OGA (0.52) | OGAPARP1TNK2TNK1HDAC3 | |
| SCHEMBL16982078 | 0.80 | OGA (0.59) | OGAPARP1TNK2TNK1CDC7 | |
| SCHEMBL8083829 | 0.78 | OGA (0.44) | OGAPARP1TNK2TNK1CDC7 | |
| SCHEMBL3787851 | 0.78 | OGA (0.57) | OGAPARP1TNK2TNK1CDC7 | |
| SCHEMBL14164267 | 0.77 | OGA (0.45) | OGAPARP1TNK2TNK1CDC7 | |
| SCHEMBL5334339 | 0.77 | OGA (0.55) | OGAPARP1TNK2TNK1CDC7 | |
| SCHEMBL30908402 | 0.77 | OGA (0.55) | OGAPARP1TNK2TNK1CDC7 | |
| Hydrochloric Acid SCHEMBL17541458 | 0.76 | OGA (0.54) | OGAPARP1TNK2TNK1CDC7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1765816-B1 | SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS | GRUENENTHAL GMBH (DE) | 2010-03-10 | — | — | EP | disclosed |
| EP-1765816-A1 | SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS | Grünenthal GmbH (DE) | 2007-03-28 | — | — | EP | disclosed |
| WO-2006002981-A1 | SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS | Grünenthal GmbH (DE) | 2006-01-12 | — | — | WO | disclosed |