Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.51 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.51 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | TNKS2 | Q9H2K2 | 3/20 | 0.43 |
| ▸ | TNKS | O95271 | 1/20 | 0.43 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 3/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | HTR2B | P41595 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29872089 | 1.00 | PARP1 (0.51) | PARP1PARP2ESR1TNKS2TNKS | |
| SCHEMBL1443391 | 0.81 | TNKS2 (0.52) | PARP1TNKS2PARP3HTR2CHTR2A | |
| SCHEMBL30566053 | 0.81 | GPR174 (0.43) | PARP1TNKS2HTR2CHTR2AHTR2B | |
| SCHEMBL29155427 | 0.79 | SMN1; SMN2 (0.58) | PARP1TNKS2PARP3HTR2CHTR2A | |
| SCHEMBL1444438 | 0.79 | ALDH1A1 (0.57) | PARP1TNKS2HTR2CHTR2AHTR2B | |
| SCHEMBL30683790 | 0.79 | SMN1; SMN2 (0.58) | PARP1TNKS2PARP3HTR2CHTR2A | |
| SCHEMBL28625881 | 0.79 | TNKS2 (0.57) | PARP1TNKS2HTR2CHTR2AHTR2B | |
| SCHEMBL21247061 | 0.79 | HSD17B10 (0.57) | PARP1TNKS2PARP3HTR2CHTR2A | |
| SCHEMBL29506922 | 0.79 | TNKS2 (0.57) | PARP1TNKS2HTR2CHTR2AHTR2B | |
| SCHEMBL29871985 | 0.77 | ESR1 (0.39) | PARP1PARP2ESR1TNKS2TNKS |
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 |
|---|---|---|---|---|---|---|---|
| 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 |