Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ3 | O43525 | 1/20 | 0.47 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.47 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.47 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19986648 | 0.93 | KMT2A (0.50) | KCNQ3KCNQ2KCNE1KCNQ1HPGD | |
| SCHEMBL19986553 | 0.80 | KMT2A (0.63) | HTTKMT2ASMN1; SMN2MEN1CYP1A2 | |
| SCHEMBL19835598 | 0.78 | HPGD (0.73) | KCNQ3KCNQ2KCNE1KCNQ1HPGD | |
| SCHEMBL19986516 | 0.77 | KDM4E (0.43) | POLBKMT2ASMN1; SMN2MEN1HDAC1 | |
| SCHEMBL6361467 | 0.76 | KMT2A (0.61) | KCNQ3KCNQ2KCNE1KCNQ1HPGD | |
| SCHEMBL19986563 | 0.75 | MEN1 (0.53) | HTTKMT2ASMN1; SMN2MEN1CYP1A2 | |
| SCHEMBL24386507 | 0.74 | HPGD (0.51) | KCNQ3KCNQ2KCNE1KCNQ1HPGD | |
| SCHEMBL19986502 | 0.73 | KMT2A (0.60) | HTTKMT2ASMN1; SMN2MEN1CYP1A2 | |
| SCHEMBL532006 | 0.73 | TAS1R3 (0.51) | KCNQ3KCNQ2KCNE1KCNQ1HPGD | |
| SCHEMBL19986445 | 0.72 | MEN1 (0.50) | HPGDHTTKMT2AMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113429341-A | Novel capsid protein assembly inhibitors | 正大天晴药业集团股份有限公司 | 2021-09-24 | — | — | CN | disclosed |
| CN-109790123-B | Novel capsid protein assembly inhibitors | 正大天晴药业集团股份有限公司 | 2021-06-25 | — | — | CN | disclosed |
| WO-2018050110-A1 | NOVEL CAPSID PROTEIN ASSEMBLY INHIBITOR | 正大天晴药业集团股份有限公司 | 2018-03-22 | — | — | WO | disclosed |