Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.49 |
| ▸ | CCL2 | P13500 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27913881 | 0.98 | BRD4 (0.47) | BRD4CCL2ATMCYP3A4HTR2A | |
| SCHEMBL27682027 | 0.80 | BRD4 (0.40) | BRD4CCL2ATMCYP3A4HTR2A | |
| SCHEMBL28089132 | 0.80 | BRD4 (0.33) | BRD4CCL2SLC6A2SLC6A3 | |
| SCHEMBL28089151 | 0.80 | KDM4E (0.36) | BRD4CCL2ALDH1A1KDM4E | |
| SCHEMBL28507942 | 0.78 | BRD4 (0.32) | BRD4CCL2ALDH1A1 | |
| SCHEMBL28001004 | 0.78 | CHEK1 (0.33) | BRD4CCL2RET | |
| SCHEMBL28089286 | 0.78 | ADORA3 (0.33) | BRD4CCL2 | |
| SCHEMBL28824445 | 0.78 | BRD4 (0.40) | BRD4CCL2ATMHTR2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL27896263 | 0.78 | BRD4 (0.40) | BRD4CCL2ATMCYP3A4HTR2A | |
| SCHEMBL28089255 | 0.78 | KDM4E (0.36) | BRD4CCL2ALDH1A1KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105828820-A | Bromodomain inhibitors | 赛尔基因昆蒂赛尔研究公司 | 2016-08-03 | — | — | CN | disclosed |