Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 4/20 | 0.50 |
| ▸ | PARP1 | P09874 | 5/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.30 |
| ▸ | PIM1 | P11309 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | AKT1 | P31749 | 1/20 | 0.30 |
| ▸ | FLT3 | P36888 | 1/20 | 0.30 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.30 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.30 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4044142 | 0.82 | BRD4 (0.49) | BRD4PARP1NR1H2HPGDHTT | |
| SCHEMBL5816653 | 0.72 | BRD4 (0.36) | BRD4NR1H2HPGDALDH1A1 | |
| SCHEMBL16210384 | 0.72 | PDE2A (0.38) | BRD4PARP1NR1H2HPGDALDH1A1 | |
| SCHEMBL24458506 | 0.69 | NR1H2 (0.43) | BRD4PARP1NR1H2HPGDALDH1A1 | |
| SCHEMBL12365544 | 0.69 | BRD4 (0.39) | BRD4PARP1NR1H2CHEK1PIM1 | |
| SCHEMBL12365567 | 0.69 | BRD4 (0.39) | BRD4PARP1NR1H2HPGDHTT | |
| SCHEMBL18168816 | 0.68 | BRD4 (0.32) | BRD4HPGD | |
| SCHEMBL18742167 | 0.68 | PDE2A (0.40) | BRD4NR1H2ALDH1A1 | |
| SCHEMBL12365546 | 0.67 | BRD4 (0.40) | BRD4PARP1NR1H2ALDH1A1 | |
| SCHEMBL21190756 | 0.67 | BRD4 (1.00) | BRD4PDPK1 |
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-2019141131-A1 | BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF | 中国科学院上海药物研究所 | 2019-07-25 | — | — | WO | disclosed |
| US-9359548-B2 | Organic electroluminescent device | UDC IRELAND LIMITED (IE) | 2016-06-07 | — | — | US | disclosed |