Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 6/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.47 |
| ▸ | CASR | P41180 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
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 | 0.88 | MEN1 (0.45) | MEN1KMT2AMAPTLMNAALDH1A1 | |
| SCHEMBL19986475 | 0.86 | RAB9A (0.50) | NPC1MEN1KMT2AMAPTLMNA | |
| SCHEMBL19986463 | 0.85 | LMNA (0.60) | NPC1MEN1KMT2AMAPTLMNA | |
| SCHEMBL19986540 | 0.85 | RAB9A (0.47) | NPC1MEN1KMT2AMAPTLMNA | |
| SCHEMBL19986628 | 0.83 | MEN1 (0.56) | NPC1MEN1KMT2AMAPTLMNA | |
| SCHEMBL19986726 | 0.83 | LMNA (0.39) | MEN1KMT2AMAPTLMNAHTT | |
| SCHEMBL19986624 | 0.83 | LMNA (0.40) | MEN1KMT2AMAPTLMNAALDH1A1 | |
| SCHEMBL19986568 | 0.81 | EPHX1 (0.60) | NPC1MEN1KMT2AMAPTLMNA | |
| SCHEMBL19986717 | 0.75 | MEN1 (0.44) | MEN1KMT2AMAPTLMNAALDH1A1 | |
| SCHEMBL19986611 | 0.74 | LMNA (0.50) | NPC1MEN1KMT2AMAPTLMNA |
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 |