Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KIFC1 | Q9BW19 | 10/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL3988908 | 0.96 | ALDH1A1 (0.39) | HDAC1HDAC2HDAC8RPS6KA3ALDH1A1 | |
| SCHEMBL4565537 | 0.89 | HDAC1 (0.42) | HDAC1HDAC2HDAC8ALDH1A1L3MBTL1 | |
| SCHEMBL4094555 | 0.89 | HDAC1 (0.47) | HDAC1HDAC2HDAC8RPS6KA3ALDH1A1 | |
| SCHEMBL3987209 | 0.85 | L3MBTL1 (0.39) | HDAC1HDAC2HDAC8ALDH1A1L3MBTL1 | |
| SCHEMBL13845642 | 0.85 | RPS6KA3 (0.41) | HDAC1HDAC2HDAC8RPS6KA3ALDH1A1 | |
| SCHEMBL3986046 | 0.84 | RPS6KA3 (0.42) | RPS6KA3ALDH1A1L3MBTL1SMN1; SMN2KDM4E | |
| SCHEMBL4275897 | 0.83 | HDAC1 (0.51) | HDAC1HDAC2HDAC8ALDH1A1L3MBTL1 | |
| SCHEMBL13845509 | 0.80 | RPS6KA3 (0.39) | HDAC1HDAC2HDAC8RPS6KA3ALDH1A1 | |
| SCHEMBL25695194 | 0.79 | HDAC1 (0.57) | HDAC1HDAC2HDAC8RPS6KA3KIFC1 | |
| SCHEMBL13845552 | 0.78 | HDAC1 (0.49) | HDAC1HDAC2HDAC8ALDH1A1L3MBTL1 |
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 |