Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 9/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 9/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 3/20 | 0.46 |
| ▸ | CTSS | P25774 | 2/20 | 0.46 |
| ▸ | CACNA1B | Q00975 | 5/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28286746 | 1.00 | ITGB3 (0.47) | ITGB3ITGA2BHDAC4HDAC1HDAC6 | |
| SCHEMBL22451614 | 0.91 | CYP1A2 (0.52) | ITGB3ITGA2BHDAC4HDAC1HDAC6 | |
| SCHEMBL20835667 | 0.88 | CTSK (0.49) | ITGB3ITGA2BHDAC4HDAC1HDAC6 | |
| SCHEMBL20835669 | 0.88 | CTSK (0.49) | ITGB3ITGA2BHDAC4HDAC1HDAC6 | |
| SCHEMBL30977182 | 0.86 | CYP1A2 (0.54) | HDAC4HDAC1HDAC6CTSKCTSS | |
| SCHEMBL30977183 | 0.86 | CYP1A2 (0.54) | HDAC4HDAC1HDAC6CTSKCTSS | |
| SCHEMBL22040793 | 0.83 | HDAC4 (0.44) | ITGB3ITGA2BHDAC4HDAC1HDAC6 | |
| SCHEMBL22039566 | 0.83 | HDAC4 (0.44) | ITGB3ITGA2BHDAC4HDAC1HDAC6 | |
| SCHEMBL27444793 | 0.83 | CTSK (0.54) | ITGB3ITGA2BHDAC4HDAC1HDAC6 | |
| SCHEMBL30044916 | 0.82 | CACNA1B (0.55) | ITGB3ITGA2BHDAC4HDAC1HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109476639-A | Pyrrolidin derivatives | 橘生药品工业股份有限公司 | 2019-03-15 | — | — | CN | disclosed |