Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.55 |
| ▸ | CDC25B | P30305 | 2/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.51 |
| ▸ | CDC25A | P30304 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.46 |
| ▸ | BAD | Q92934 | 1/20 | 0.46 |
| ▸ | MYC | P01106 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ALB | P02768 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL425272 | 0.91 | AKR1C3 (0.65) | AKR1C3CDC25BATMNR4A1CDC25A | |
| SCHEMBL503678 | 0.87 | AKR1C3 (0.73) | AKR1C3CDC25BATMNR4A1CDC25A | |
| SCHEMBL23501588 | 0.87 | AKR1C3 (0.61) | AKR1C3CDC25BATMNR4A1CDC25A | |
| SCHEMBL144047 | 0.85 | AKR1C3 (0.76) | AKR1C3CDC25BATMNR4A1CDC25A | |
| SCHEMBL30978151 | 0.85 | AKR1C3 (0.76) | AKR1C3CDC25BATMNR4A1CDC25A | |
| SCHEMBL5178136 | 0.85 | NR4A1 (0.51) | AKR1C3CDC25BATMNR4A1ALDH1A1 | |
| Benzene SCHEMBL28318261 | 0.85 | AKR1C3 (0.61) | AKR1C3CDC25BATMNR4A1CDC25A | |
| Hydrochloric Acid SCHEMBL10626938 | 0.83 | AKR1C3 (0.73) | AKR1C3CDC25BATMNR4A1CDC25A | |
| SCHEMBL10480661 | 0.83 | KDM4E (0.60) | AKR1C3CDC25BATMHSD17B10KDM4E | |
| SCHEMBL27873928 | 0.83 | AKR1C3 (0.65) | AKR1C3CDC25BATMNR4A1CDC25A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3750885-A1 | COMPOUND HAVING BET INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREFOR | Shanghai Haihe Pharmaceutical Co., Ltd. (CN) | 2020-12-16 | — | — | EP | disclosed |
| EP-3750885-A1 | COMPOUND HAVING BET INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREFOR | Shanghai Haihe Pharmaceutical Co., Ltd. (CN) | 2020-12-16 | — | — | EP | disclosed |
| CN-111683932-A | Compound with BET inhibition activity, preparation method and application thereof | 上海海和药物研究开发有限公司 | 2020-09-18 | — | — | CN | disclosed |
| WO-2019154329-A1 | COMPOUND HAVING BET INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREFOR | 上海海和药物研究开发有限公司 | 2019-08-15 | — | — | WO | disclosed |
| WO-2019154329-A1 | COMPOUND HAVING BET INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREFOR | 上海海和药物研究开发有限公司 | 2019-08-15 | — | — | WO | disclosed |