Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Methyl 2,5-Dimethoxybenzoate SCHEMBL2091289 | 0.76 | MAPT (0.66) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11328533 | 0.75 | ESR1 (0.47) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9774357 | 0.73 | PTGDR2 (0.54) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8191837 | 0.73 | KMT2A (0.52) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL23292495 | 0.73 | MAPT (0.58) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28327817 | 0.73 | KDM4E (0.50) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2091287 | 0.72 | KDM4E (0.57) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL20806040 | 0.72 | KMT2A (0.44) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2875242 | 0.72 | KDM4E (0.66) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9217561 | 0.71 | KDM4E (0.49) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110506044-B | BRD4 inhibitor and preparation and application thereof | 中国科学院上海药物研究所 | 2022-07-05 | — | — | CN | disclosed |
| CN-110506044-A | A kind of BRD4 inhibitor and its preparation and application | SHANGHAI INST MATERIA MEDICA CAS | 2019-11-26 | — | — | CN | disclosed |