Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 3/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | VNN1 | O95497 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | XDH | P47989 | 1/20 | 0.32 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MC4R | P32245 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6685244 | 0.92 | HDAC3 (0.37) | HRH1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL839884 | 0.83 | — | — | |
| SCHEMBL28362525 | 0.83 | HSP90AA1 (0.40) | HRH1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL10949970 | 0.82 | HRH1 (0.36) | HRH1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL19304404 | 0.80 | TDP1 (0.47) | KDM4ECYP2C9CYP2C19 | |
| SCHEMBL293129 | 0.80 | HRH1 (0.35) | HRH1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL15376927 | 0.80 | TDP1 (0.47) | KDM4ECYP2C9CYP2C19 | |
| SCHEMBL5138548 | 0.80 | TDP1 (0.47) | KDM4ECYP2C9CYP2C19 | |
| SCHEMBL16115136 | 0.80 | TDP1 (0.47) | KDM4ECYP2C9CYP2C19 | |
| SCHEMBL31036036 | 0.80 | HRH1 (0.35) | HRH1HDAC3HDAC1HDAC2HDAC6 |
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-2004069145-A2 | ANTICANCER COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S LABORATORIES LTD. (IN) | 2004-08-19 | — | — | WO | disclosed |