Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.54 |
| ▸ | WNT3A | P56704 | 3/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.50 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.50 |
| ▸ | MTNR1A | P48039 | 7/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | ITGB2 | P05107 | 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 | |
|---|---|---|---|---|
| SCHEMBL251991 | 1.00 | KDM4E (0.56) | KDM4ECTNNB1WNT3AHDAC3HDAC4 | |
| SCHEMBL1672057 | 0.93 | KDM4E (0.49) | KDM4ECTNNB1WNT3AHDAC3HDAC4 | |
| SCHEMBL5214590 | 0.86 | CTNNB1 (0.55) | KDM4ECTNNB1WNT3AHDAC3HDAC4 | |
| SCHEMBL29442138 | 0.85 | KDM4C (0.52) | KDM4ECTNNB1WNT3AALDH1A1ALOX15 | |
| SCHEMBL340702 | 0.85 | KDM4C (0.52) | KDM4ECTNNB1WNT3AALDH1A1ALOX15 | |
| SCHEMBL1520075 | 0.83 | PARP1 (0.64) | KDM4ECTNNB1WNT3AHDAC3HDAC4 | |
| Hydrochloric Acid SCHEMBL9236405 | 0.83 | KDM4C (0.51) | KDM4ECTNNB1WNT3AALDH1A1ALOX15 | |
| SCHEMBL1020885 | 0.83 | CTNNB1 (0.52) | KDM4ECTNNB1WNT3AHDAC3HDAC4 | |
| SCHEMBL637323 | 0.83 | CTNNB1 (0.55) | KDM4ECTNNB1WNT3AHDAC3HDAC4 | |
| SCHEMBL27343882 | 0.82 | CTNNB1 (0.53) | KDM4ECTNNB1WNT3AHDAC3HDAC4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111377934-B | Heterocyclic compound, preparation and application thereof | 中国科学院上海药物研究所 | 2023-01-24 | — | — | CN | disclosed |