Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 5/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19986623 | 0.92 | MEN1 (0.45) | LMNAMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL19986691 | 0.88 | LMNA (0.45) | LMNAMEN1KMT2AOPRM1ALDH1A1 | |
| SCHEMBL19986726 | 0.85 | LMNA (0.39) | LMNAMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL19986463 | 0.84 | LMNA (0.60) | LMNAMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL19986622 | 0.83 | NPC1 (0.51) | LMNAMEN1KMT2AOPRM1ALDH1A1 | |
| SCHEMBL19986705 | 0.82 | MARS1 (0.47) | LMNAMEN1KMT2AALDH1A1CNR1 | |
| SCHEMBL19986618 | 0.81 | MEN1 (0.38) | LMNAMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL19986475 | 0.81 | RAB9A (0.50) | LMNAMEN1KMT2AOPRM1ALDH1A1 | |
| SCHEMBL19986717 | 0.79 | MEN1 (0.44) | LMNAMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL19986723 | 0.76 | MEN1 (0.42) | LMNAMEN1KMT2AALDH1A1MAPT |
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 |