Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.45 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.45 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.45 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RHOC | P08134 | 1/20 | 0.44 |
| ▸ | RHOA | P61586 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19986515 | 0.93 | KCNQ3 (0.47) | KMT2AKCNQ3KCNQ2KCNE1KCNQ1 | |
| SCHEMBL19986502 | 0.81 | KMT2A (0.60) | KMT2AHTTSMN1; SMN2 | |
| SCHEMBL19986651 | 0.78 | KDM4E (0.43) | KMT2APOLBRHOCRHOAKDM4E | |
| SCHEMBL19986566 | 0.76 | MEN1 (0.51) | KMT2AHTTCNR1SMN1; SMN2 | |
| SCHEMBL19835598 | 0.76 | HPGD (0.73) | KMT2AKCNQ3KCNQ2KCNE1KCNQ1 | |
| SCHEMBL6361467 | 0.74 | KMT2A (0.61) | KMT2AKCNQ3KCNQ2KCNE1KCNQ1 | |
| SCHEMBL19986669 | 0.74 | MEN1 (0.48) | KMT2ACNR1 | |
| SCHEMBL19986553 | 0.73 | KMT2A (0.63) | KMT2AHTTSMN1; SMN2 | |
| SCHEMBL19986578 | 0.73 | MEN1 (0.41) | KMT2ACNR1 | |
| SCHEMBL19986706 | 0.73 | HTR2A (0.44) | KMT2AHTT |
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 |