Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 2/20 | 0.44 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.39 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL98860 | 0.89 | PIK3CA (0.42) | PIK3CADCTPP1HDAC1HDAC3HDAC4 | |
| SCHEMBL1618852 | 0.88 | PIK3CA (0.45) | PIK3CADCTPP1HDAC1HDAC3HDAC4 | |
| SCHEMBL97312 | 0.87 | PIK3CA (0.44) | PIK3CADCTPP1HDAC1HDAC3HDAC4 | |
| SCHEMBL98731 | 0.83 | ALDH1A1 (0.47) | PIK3CADCTPP1HDAC1HDAC3HDAC4 | |
| SCHEMBL98635 | 0.83 | ALDH1A1 (0.52) | PIK3CADCTPP1HDAC1HDAC3HDAC4 | |
| SCHEMBL97457 | 0.80 | PIK3CA (0.44) | PIK3CAHDAC1PIK3CDPDE10APIK3R1 | |
| SCHEMBL101395 | 0.79 | PIK3CA (0.50) | PIK3CAHDAC1HDAC3HDAC4HDAC7 | |
| SCHEMBL95758 | 0.78 | PIK3CA (0.46) | PIK3CAHDAC1ALDH1A1LMNANPSR1 | |
| SCHEMBL97832 | 0.78 | PIK3CA (0.46) | PIK3CADCTPP1HDAC1HDAC3HDAC4 | |
| SCHEMBL98984 | 0.78 | PIK3CA (0.49) | PIK3CAHDAC1HDAC3HDAC4HDAC7 |
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 |
|---|---|---|---|---|---|---|---|
| US-9132130-B2 | Purine derivative and antitumor agent using same | ZENYAKU KOGYO KABUSHIKI KAISHA (JP) | 2015-09-15 | — | — | US | disclosed |
| EP-2426130-A1 | PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME | ZENYAKU KOGYO KABUSHIKIKAISHA (JP) | 2012-03-07 | — | — | EP | disclosed |
| WO-2010126101-A1 | PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME | 全薬工業株式会社 (JP) | 2010-11-04 | — | — | WO | disclosed |