Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.45 |
| ▸ | MEN1 | O00255 | 5/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 4/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL19986681 | 0.94 | TSHR (0.47) | TSHRKMT2AMEN1NPC1RAB9A | |
| SCHEMBL19986684 | 0.88 | SLC6A3 (0.40) | TSHRKMT2AMEN1NPC1RAB9A | |
| SCHEMBL19986559 | 0.84 | TSHR (0.46) | TSHRKMT2AMEN1NPC1RAB9A | |
| SCHEMBL19986556 | 0.81 | TSHR (0.48) | TSHRKMT2AMEN1NPC1RAB9A | |
| SCHEMBL19986502 | 0.80 | KMT2A (0.60) | TSHRKMT2AMEN1NPC1RAB9A | |
| SCHEMBL19986629 | 0.78 | TSHR (0.44) | TSHRKMT2AMEN1NPC1RAB9A | |
| SCHEMBL19986553 | 0.78 | KMT2A (0.63) | TSHRKMT2AMEN1NPC1RAB9A | |
| SCHEMBL19986683 | 0.75 | KDR (0.38) | NPC1RAB9ASMN1; SMN2MAPTTP53 | |
| SCHEMBL19986566 | 0.73 | MEN1 (0.51) | KMT2AMEN1NPC1SMN1; SMN2LMNA | |
| SCHEMBL11502522 | 0.72 | APEX1 (0.73) | TSHRKMT2AMEN1NPC1RAB9A |
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 |