Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.32 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11807732 | 0.80 | CA1 (0.32) | CA1CA2CA4KMT2A | |
| SCHEMBL2763653 | 0.71 | HTT (0.32) | LMNATSHR | |
| SCHEMBL2763768 | 0.71 | ALDH1A1 (0.34) | — | |
| SCHEMBL104646 | 0.70 | — | — | |
| SCHEMBL2690369 | 0.69 | TRIM24 (0.36) | CYP19A1POLBGRIN1GRIN2ASLC6A4 | |
| SCHEMBL2691988 | 0.69 | TRIM24 (0.36) | CYP19A1POLBGRIN1GRIN2ASLC6A4 | |
| SCHEMBL9175503 | 0.69 | TRIM24 (0.36) | CYP19A1POLBGRIN1GRIN2ASLC6A4 | |
| SCHEMBL277991 | 0.68 | CRBN (0.41) | CYP19A1KMT2AMEN1NPSR1TSHR | |
| SCHEMBL3723821 | 0.68 | CA1 (0.43) | CA1CA2CA4CYP19A1KMT2A | |
| SCHEMBL5527188 | 0.67 | CYP2D6 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021047581-A1 | HEXAHYDROBENZOPYRAZOLE DERIVATIVE AND PREPARATION THEREFOF | 四川海思科制药有限公司 | 2021-03-18 | — | — | WO | disclosed |