Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | TOP1 | P11387 | 2/20 | 0.41 |
| ▸ | HRAS | P01112 | 5/20 | 0.41 |
| ▸ | ESR1 | P03372 | 5/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.40 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.38 |
| ▸ | EP300 | Q09472 | 4/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13845552 | 0.91 | HDAC1 (0.49) | HDAC1HDAC2HDAC8TOP1HRAS | |
| SCHEMBL3984818 | 0.89 | HDAC1 (0.40) | HDAC1HDAC2HDAC8KDM4ERPS6KA3 | |
| SCHEMBL3988908 | 0.89 | ALDH1A1 (0.39) | HDAC1HDAC2HDAC8RPS6KA3ALDH1A1 | |
| SCHEMBL4100605 | 0.86 | HDAC1 (0.46) | HDAC1HDAC2HDAC8TOP1HRAS | |
| SCHEMBL4275897 | 0.84 | HDAC1 (0.51) | HDAC1HDAC2HDAC8TOP1HRAS | |
| SCHEMBL3983817 | 0.83 | TOP1 (0.46) | HDAC1HDAC2HDAC8TOP1HRAS | |
| SCHEMBL25695194 | 0.83 | HDAC1 (0.57) | HDAC1HDAC2HDAC8TOP1HRAS | |
| SCHEMBL30125561 | 0.82 | HDAC1 (0.48) | HDAC1HDAC2HDAC8TOP1HRAS | |
| SCHEMBL26553516 | 0.82 | P2RY12 (0.45) | HDAC1HDAC2HDAC8TOP1HRAS | |
| SCHEMBL23728675 | 0.82 | HDAC1 (0.53) | HDAC1HDAC2HDAC8TOP1HRAS |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009060208-A1 | PYRROLOBENZODIAZEPINES | SPIROGEN LIMITED (GB) | 2009-05-14 | — | — | WO | disclosed |
| WO-2009060208-A1 | PYRROLOBENZODIAZEPINES | SPIROGEN LIMITED (GB) | 2009-05-14 | — | — | WO | disclosed |