Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 4/20 | 0.48 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17743544 | 0.85 | MTNR1A (0.46) | MTNR1AMTNR1BKCNH2KMT2AMEN1 | |
| SCHEMBL4194791 | 0.83 | KCNH2 (0.52) | MTNR1AMTNR1BKCNH2ALDH1A1NPSR1 | |
| SCHEMBL10425499 | 0.80 | KCNH2 (0.50) | MTNR1AMTNR1BKCNH2ALDH1A1NPSR1 | |
| SCHEMBL138431 | 0.78 | KCNH2 (0.50) | MTNR1AMTNR1BKCNH2ALDH1A1ALOX15 | |
| SCHEMBL7357172 | 0.78 | MTNR1A (0.42) | MTNR1AMTNR1BKCNH2ALDH1A1NPSR1 | |
| SCHEMBL4970515 | 0.78 | KCNH2 (0.50) | MTNR1AMTNR1BKCNH2SIGMAR1 | |
| SCHEMBL16035772 | 0.77 | ALDH1A1 (0.37) | MTNR1AMTNR1BALDH1A1NPSR1ALOX15 | |
| SCHEMBL10830280 | 0.76 | KCNH2 (0.48) | MTNR1AMTNR1BKCNH2SIGMAR1 | |
| SCHEMBL4194250 | 0.76 | KCNH2 (0.48) | MTNR1AMTNR1BKCNH2SIGMAR1 | |
| SCHEMBL6441273 | 0.76 | KCNH2 (0.47) | MTNR1AMTNR1BKCNH2ALDH1A1NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112424194-B | Immunomodulator, composition and preparation method thereof | 贝达药业股份有限公司 | 2024-02-06 | — | — | CN | disclosed |
| CN-112424194-A | Immunomodulator, composition and preparation method thereof | 贝达药业股份有限公司 | 2021-02-26 | — | — | CN | disclosed |