Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.42 |
| ▸ | IDH2 | P48735 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | FLT1 | P17948 | 1/20 | 0.38 |
| ▸ | FLT4 | P35916 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19986538 | 0.90 | KMT2A (0.60) | KMT2AALDH1A1MEN1LMNARAB9A | |
| SCHEMBL19986534 | 0.82 | ALDH1A1 (0.46) | KMT2AALDH1A1AGTR1GRIN2AGRIN1 | |
| SCHEMBL19986468 | 0.82 | MEN1 (0.44) | KMT2AALDH1A1AGTR1GRIN2AGRIN1 | |
| SCHEMBL19986706 | 0.80 | HTR2A (0.44) | KMT2AALDH1A1AGTR1GRIN2AGRIN1 | |
| SCHEMBL19986474 | 0.74 | PDE4B (0.31) | — | |
| SCHEMBL19986512 | 0.73 | MEN1 (0.54) | KMT2AALDH1A1MEN1LMNATSHR | |
| SCHEMBL28588269 | 0.73 | CA1 (0.40) | KMT2AMEN1PABPC1LMNARAB9A | |
| SCHEMBL19986725 | 0.70 | KMT2A (0.46) | KMT2AALDH1A1MEN1LMNAPKM | |
| SCHEMBL28574430 | 0.69 | NAMPT (0.47) | KMT2AMEN1LMNATSHRRAB9A | |
| SCHEMBL18077979 | 0.69 | ALDH1A1 (0.54) | KMT2AALDH1A1AGTR1GRIN2AGRIN1 |
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 |