Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP2A | P11388 | 2/20 | 0.69 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.68 |
| ▸ | BRD4 | O60885 | 1/20 | 0.65 |
| ▸ | NR1H4 | Q96RI1 | 8/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.62 |
| ▸ | HPGD | P15428 | 2/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.60 |
| ▸ | GAA | P10253 | 2/20 | 0.60 |
| ▸ | TP53 | P04637 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL13905567 | 0.92 | BRD4 (0.72) | TOP2AADRA1BBRD4NR1H4ALDH1A1 | |
| SCHEMBL12781715 | 0.86 | MAPT (0.76) | TOP2AADRA1BBRD4NR1H4ALDH1A1 | |
| SCHEMBL6651229 | 0.86 | GAA (0.71) | TOP2AADRA1BBRD4NR1H4ALDH1A1 | |
| SCHEMBL17052783 | 0.85 | TRPA1 (0.74) | TOP2AADRA1BBRD4NR1H4GAA | |
| SCHEMBL17052782 | 0.83 | TRPA1 (0.72) | TOP2AADRA1BBRD4NR1H4ALDH1A1 | |
| SCHEMBL17052784 | 0.82 | TRPA1 (0.76) | TOP2AADRA1BBRD4NR1H4ALDH1A1 | |
| SCHEMBL7975167 | 0.82 | GAA (0.70) | TOP2ABRD4NR1H4ALDH1A1KDM4E | |
| SCHEMBL25414843 | 0.81 | ADRA1B (1.00) | TOP2AADRA1BBRD4ALDH1A1KDM4E | |
| SCHEMBL16424685 | 0.80 | BRD4 (1.00) | BRD4ALDH1A1TP53MAPTPOLB | |
| SCHEMBL6648128 | 0.80 | ADRA1B (0.71) | TOP2AADRA1BBRD4ALDH1A1KDM4E |
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-2001027119-A2 | SUBSTANCE LIBRARY CONTAINING BICYCLIC IMIDAZO-5-YL-AMINES AND/OR BICYCLIC IMIDAZO-3-YL-AMINES | Grünenthal GmbH (DE) | 2001-04-19 | — | — | WO | claimed |
| WO-2001027119-A2 | SUBSTANCE LIBRARY CONTAINING BICYCLIC IMIDAZO-5-YL-AMINES AND/OR BICYCLIC IMIDAZO-3-YL-AMINES | Grünenthal GmbH (DE) | 2001-04-19 | — | — | WO | disclosed |