Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | DPP4 | P27487 | 4/20 | 0.44 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | RARA | P10276 | 3/20 | 0.41 |
| ▸ | RARB | P10826 | 3/20 | 0.41 |
| ▸ | RARG | P13631 | 3/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL494459 | 0.78 | HDAC4 (0.50) | HDAC4HDAC6DPP4DPP7KCNH2 | |
| SCHEMBL3666186 | 0.77 | ALDH1A1 (0.43) | NPC1RAB9AALDH1A1LMNAMAPT | |
| SCHEMBL3665206 | 0.77 | DPP4 (0.43) | DPP4DPP7S1PR1GRM5NPC1 | |
| SCHEMBL28816298 | 0.75 | ALPL (0.50) | HDAC4HDAC6DPP4DPP7KCNH2 | |
| SCHEMBL14363629 | 0.71 | CASP3 (0.49) | HDAC4HDAC6DPP4S1PR1GRM5 | |
| SCHEMBL4083201 | 0.71 | NR1H4 (0.52) | S1PR1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL28816278 | 0.71 | HTT (0.56) | HDAC4HDAC6DPP4NPC1RAB9A | |
| SCHEMBL492888 | 0.70 | SHMT1 (0.48) | HDAC4HDAC6NPC1RAB9AMEN1 | |
| SCHEMBL3667161 | 0.69 | ALDH1A1 (0.59) | S1PR1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL23149188 | 0.69 | GRM5 (0.52) | DPP4GRM5SMN1; SMN2ALDH1A1LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2139851-A2 | SUBSTITUTED AMIDE DERIVATIVES | Grünenthal GmbH (DE) | 2010-01-06 | — | — | EP | claimed |
| WO-2008131946-A2 | SUBSTITUTED AMIDE DERIVATIVES | Grünenthal GmbH (DE) | 2008-11-06 | — | — | WO | claimed |
| EP-2139851-A2 | SUBSTITUTED AMIDE DERIVATIVES | Grünenthal GmbH (DE) | 2010-01-06 | — | — | EP | disclosed |
| WO-2008131946-A2 | SUBSTITUTED AMIDE DERIVATIVES | Grünenthal GmbH (DE) | 2008-11-06 | — | — | WO | disclosed |