Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.37 |
| ▸ | KIFC1 | Q9BW19 | 8/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3984818 | 0.96 | HDAC1 (0.40) | ALDH1A1L3MBTL1RPS6KA3HDAC1HDAC2 | |
| SCHEMBL4094555 | 0.89 | HDAC1 (0.47) | ALDH1A1L3MBTL1RPS6KA3HDAC1HDAC2 | |
| SCHEMBL3987209 | 0.89 | L3MBTL1 (0.39) | ALDH1A1L3MBTL1HDAC1HDAC2HDAC8 | |
| SCHEMBL3986046 | 0.87 | RPS6KA3 (0.42) | ALDH1A1L3MBTL1RPS6KA3SMN1; SMN2 | |
| SCHEMBL4565537 | 0.85 | HDAC1 (0.42) | ALDH1A1L3MBTL1HDAC1HDAC2HDAC8 | |
| SCHEMBL13845509 | 0.83 | RPS6KA3 (0.39) | ALDH1A1L3MBTL1RPS6KA3HDAC1HDAC2 | |
| SCHEMBL4275897 | 0.80 | HDAC1 (0.51) | ALDH1A1L3MBTL1HDAC1HDAC2HDAC8 | |
| SCHEMBL13845642 | 0.80 | RPS6KA3 (0.41) | ALDH1A1L3MBTL1RPS6KA3HDAC1HDAC2 | |
| SCHEMBL23745118 | 0.78 | RPS6KA3 (0.43) | RPS6KA3SMN1; SMN2CYP1A2CYP2C19GAA | |
| SCHEMBL13845552 | 0.78 | HDAC1 (0.49) | ALDH1A1L3MBTL1HDAC1HDAC2HDAC8 |
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 |