Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL1223787 | 0.83 | MAOA (0.47) | LMNAKMT2AHTTEPHX2MAOA | |
| SCHEMBL30675667 | 0.81 | HDAC1 (0.49) | HDAC1HDAC8HDAC6TP53LMNA | |
| SCHEMBL31374883 | 0.77 | HDAC1 (0.43) | HDAC1HDAC8HDAC6TP53LMNA | |
| SCHEMBL30675683 | 0.76 | HDAC1 (0.42) | HDAC1HDAC8HDAC6TP53LMNA | |
| SCHEMBL30675755 | 0.76 | HDAC1 (0.51) | HDAC1HDAC8HDAC6TP53LMNA | |
| SCHEMBL5507140 | 0.75 | HDAC1 (0.57) | HDAC1HDAC8HDAC6TP53LMNA | |
| SCHEMBL522090 | 0.75 | CA9 (0.54) | LMNAKMT2AMAPTCA9HTT | |
| SCHEMBL8853758 | 0.73 | LMNA (0.54) | HDAC1HDAC8HDAC6TP53LMNA | |
| SCHEMBL2597035 | 0.72 | CTSL (0.36) | CTSLALDH1A1 | |
| SCHEMBL21646067 | 0.71 | CA9 (0.54) | LMNAKMT2AMAPTCA9HTT |
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-116964048-A | Bicyclic tetrahydroazepine derivatives for the treatment of cancer | 豪夫迈·罗氏有限公司 | 2023-10-27 | — | — | CN | disclosed |