Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR9 | P51686 | 2/20 | 0.45 |
| ▸ | GRM5 | P41594 | 2/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20473233 | 1.00 | CCR9 (0.45) | CCR9GRM5HDAC4HDAC1CTSL | |
| SCHEMBL20473216 | 0.92 | CCR9 (0.44) | CCR9GRM5HDAC4HDAC1CTSL | |
| SCHEMBL17244394 | 0.90 | AAK1 (0.45) | HDAC4HDAC1HDAC3HDAC7HDAC2 | |
| SCHEMBL20680744 | 0.90 | AAK1 (0.45) | HDAC4HDAC1HDAC3HDAC7HDAC2 | |
| SCHEMBL29368604 | 0.90 | AAK1 (0.45) | HDAC4HDAC1HDAC3HDAC7HDAC2 | |
| SCHEMBL22853706 | 0.87 | HDAC1 (0.41) | HDAC4HDAC1CTSLHDAC3HDAC7 | |
| SCHEMBL20473276 | 0.87 | SMN1; SMN2 (0.47) | ALDH1A1SMN1; SMN2MAPTGAA | |
| SCHEMBL19006724 | 0.87 | SMN1; SMN2 (0.47) | ALDH1A1SMN1; SMN2MAPTGAA | |
| SCHEMBL22591862 | 0.85 | HDAC4 (0.40) | HDAC4HDAC1HDAC3HDAC7HDAC2 | |
| SCHEMBL20473299 | 0.85 | CTSS (0.41) | HDAC4HDAC1CTSLHDAC3HDAC7 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017101808-A1 | SHORT-ACTING BENZODIAZEPINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2017-06-22 | — | — | WO | disclosed |