Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21362563 | 0.91 | BRD4 (0.53) | BRD4KDM4EKMT2ANR4A1LMNA | |
| SCHEMBL21352026 | 0.85 | BRD4 (0.48) | BRD4KDM4EKMT2ANR4A1LMNA | |
| SCHEMBL21362103 | 0.83 | BRD4 (0.46) | BRD4KDM4EKMT2ANR4A1LMNA | |
| SCHEMBL21362018 | 0.80 | BRD4 (0.44) | BRD4KDM4EKMT2ANR4A1P2RX3 | |
| SCHEMBL21362518 | 0.78 | BRD4 (0.45) | BRD4KDM4EKMT2ANR4A1LMNA | |
| SCHEMBL20157788 | 0.76 | BRD4 (0.43) | BRD4KDM4EKMT2ANR4A1LMNA | |
| SCHEMBL21362150 | 0.72 | BRD4 (0.40) | BRD4KDM4EKMT2AP2RX3CNR2 | |
| SCHEMBL21362517 | 0.72 | BRD4 (0.40) | BRD4KDM4EKMT2AP2RX3CNR2 | |
| SCHEMBL21362149 | 0.72 | BRD4 (0.40) | BRD4KDM4EKMT2ALMNAALDH1A1 | |
| SCHEMBL18113379 | 0.71 | POLB (0.42) | BRD4KMT2AMAPTNPSR1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3539960-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) | 2019-09-18 | — | — | EP | disclosed |