Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | UBE2N | P61088 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.36 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.36 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30625972 | 0.90 | CA1 (0.43) | CA1CA2RAPGEF4KDM4EUBE2N | |
| SCHEMBL4170909 | 0.78 | KDM4E (0.49) | CA1CA2RAPGEF4KDM4EUBE2N | |
| SCHEMBL4170873 | 0.77 | CA1 (0.41) | CA1CA2RAPGEF4KDM4EUBE2N | |
| SCHEMBL14725561 | 0.75 | RAPGEF4 (0.70) | CA1CA2RAPGEF4KDM4EUBE2N | |
| SCHEMBL28538858 | 0.75 | CA1 (0.49) | CA1CA2RAPGEF4KDM4EUBE2N | |
| SCHEMBL28904396 | 0.75 | CA1 (0.49) | CA1CA2RAPGEF4KDM4EUBE2N | |
| SCHEMBL18951969 | 0.75 | CA1 (0.49) | CA1CA2RAPGEF4KDM4EUBE2N | |
| SCHEMBL28772775 | 0.74 | CA1 (0.38) | CA1CA2RAPGEF4KDM4EUBE2N | |
| SCHEMBL11612788 | 0.73 | RAPGEF4 (0.44) | CA1CA2RAPGEF4KDM4EUBE2N | |
| SCHEMBL30781498 | 0.73 | CA1 (0.45) | CA1CA2RAPGEF4KDM4EUBE2N |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113544131-B | Pyrrolo-heterocyclic derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2024-03-15 | — | — | CN | disclosed |
| CN-113825757-B | Substituted fused bicyclic derivatives, preparation method thereof and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2023-10-20 | — | — | CN | disclosed |
| CN-113825757-A | Substituted condensed bicyclic derivatives, preparation method and application thereof in medicines | 江苏恒瑞医药股份有限公司 | 2021-12-21 | — | — | CN | disclosed |
| CN-113544131-A | Pyrrolo-heterocyclic derivatives, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2021-10-22 | — | — | CN | disclosed |