Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 3/20 | 0.41 |
| ▸ | RXRB | P28702 | 3/20 | 0.41 |
| ▸ | RXRG | P48443 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL22770001 | 1.00 | KDM4E (0.43) | KDM4ERXRARXRBRXRGKMT2A | |
| SCHEMBL22770057 | 0.88 | AKR1C3 (0.44) | KDM4ERXRARXRBRXRGKMT2A | |
| SCHEMBL22770058 | 0.88 | AKR1C3 (0.44) | KDM4ERXRARXRBRXRGKMT2A | |
| SCHEMBL22770032 | 0.79 | RXRA (0.48) | KDM4ERXRARXRBRXRGKMT2A | |
| SCHEMBL22770029 | 0.79 | RXRA (0.48) | KDM4ERXRARXRBRXRGKMT2A | |
| SCHEMBL22769987 | 0.77 | ALDH1A1 (0.46) | KMT2ARAB9ANPC1SMN1; SMN2GAA | |
| SCHEMBL22769985 | 0.77 | ALDH1A1 (0.46) | KMT2ARAB9ANPC1SMN1; SMN2GAA | |
| SCHEMBL21247044 | 0.76 | AKR1C3 (0.55) | KDM4EPOLBCA1CA2CA9 | |
| SCHEMBL6815969 | 0.75 | KMT2A (0.53) | RXRARXRBRXRGKMT2ARAB9A | |
| SCHEMBL6449347 | 0.75 | SMN1; SMN2 (0.47) | RXRARXRBRXRGKMT2ARAB9A |
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 |