Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | LPAR1 | Q92633 | 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 | |
|---|---|---|---|---|
| SCHEMBL28329036 | 0.90 | KDM4E (0.50) | KDM4EHSD17B10GLAGAAALDH1A1 | |
| SCHEMBL28329059 | 0.85 | ALDH1A1 (0.56) | KDM4EGAAALDH1A1LMNATSHR | |
| SCHEMBL28329030 | 0.77 | ALDH1A1 (0.58) | KDM4EHSD17B10GLAGAAALDH1A1 | |
| SCHEMBL1186560 | 0.77 | ALDH1A1 (0.57) | KDM4EALDH1A1LMNAHPGDMEN1 | |
| SCHEMBL1184767 | 0.77 | ALDH1A1 (0.57) | KDM4EALDH1A1LMNAHPGDMEN1 | |
| SCHEMBL8161809 | 0.75 | MEN1 (0.53) | KDM4EHSD17B10GLAGAAALDH1A1 | |
| SCHEMBL28327880 | 0.73 | KDM4E (0.46) | KDM4EHSD17B10ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL5097172 | 0.73 | KDM4E (0.58) | KDM4EHSD17B10GLAGAAALDH1A1 | |
| SCHEMBL29895475 | 0.72 | ALDH1A1 (0.54) | KDM4EHSD17B10ALDH1A1LMNAHPGD | |
| SCHEMBL21431006 | 0.71 | TGM2 (0.56) | KDM4EHSD17B10GLAGAAALDH1A1 |
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 |