Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.46 |
| ▸ | MEN1 | O00255 | 5/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 4/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19986629 | 0.94 | TSHR (0.44) | TSHRSMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL19986559 | 0.93 | TSHR (0.46) | TSHRSMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL19986681 | 0.83 | TSHR (0.47) | TSHRSMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL19986558 | 0.81 | KDR (0.39) | SMN1; SMN2NPC1RAB9AMAPTTP53 | |
| SCHEMBL19986682 | 0.81 | TSHR (0.45) | TSHRSMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL19986535 | 0.75 | KMT2A (0.51) | TSHRSMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL11502522 | 0.74 | APEX1 (0.73) | TSHRSMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL19986684 | 0.74 | SLC6A3 (0.40) | TSHRSMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL22094344 | 0.72 | MAPT (0.45) | TSHRSMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL14433827 | 0.71 | SMN1; SMN2 (0.74) | TSHRSMN1; SMN2NPC1RAB9AKMT2A |
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 |